N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

C98H132Cl3N9O3 — CID 159878644

IUPACN-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2.CC12CCC(C1)C(C)(C)[C@H]2NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccccc1Cl.O=C(NC1C2CC3CC(C2)CC1C3)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1
InChIInChI=1S/C34H46ClN3O.C32H42ClN3O.C32H44ClN3O/c1-22(34-19-24-14-25(20-34)16-26(15-24)21-34)36-33(39)31-30-13-6-5-9-27(17-23-8-7-10-28(35)18-23)32(30)38(37-31)29-11-3-2-4-12-29;33-26-9-6-7-20(19-26)14-23-8-4-5-12-28-30(35-36(31(23)28)27-10-2-1-3-11-27)32(37)34-29-24-15-21-13-22(17-24)18-25(29)16-21;1-31(2)23-17-18-32(3,20-23)30(31)34-29(37)27-25-15-9-7-12-22(19-21-11-8-10-16-26(21)33)28(25)36(35-27)24-13-5-4-6-14-24/h7-8,10,18,22,24-27,29H,2-6,9,11-17,19-21H2,1H3,(H,36,39);6-7,9,19,21-25,27,29H,1-5,8,10-18H2,(H,34,37);8,10-11,16,22-24,30H,4-7,9,12-15,17-20H2,1-3H3,(H,34,37)/t;;22?,23?,30-,32?/m..1/s1
InChIKeyNTFYZNAZMXSLFB-LZDPJPHRSA-N
MW1590.55 g/mol
LogP24.12
Rot. Bonds16

About N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (PubChem CID 159878644) has the molecular formula C98H132Cl3N9O3 and a molecular weight of 1590.55 g/mol. Its IUPAC name is N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
PubChem CID159878644
Molecular FormulaC98H132Cl3N9O3
Molecular Weight1590.55 g/mol
Exact Mass1587.95
IUPAC NameN-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2.CC12CCC(C1)C(C)(C)[C@H]2NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccccc1Cl.O=C(NC1C2CC3CC(C2)CC1C3)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1
InChIInChI=1S/C34H46ClN3O.C32H42ClN3O.C32H44ClN3O/c1-22(34-19-24-14-25(20-34)16-26(15-24)21-34)36-33(39)31-30-13-6-5-9-27(17-23-8-7-10-28(35)18-23)32(30)38(37-31)29-11-3-2-4-12-29;33-26-9-6-7-20(19-26)14-23-8-4-5-12-28-30(35-36(31(23)28)27-10-2-1-3-11-27)32(37)34-29-24-15-21-13-22(17-24)18-25(29)16-21;1-31(2)23-17-18-32(3,20-23)30(31)34-29(37)27-25-15-9-7-12-22(19-21-11-8-10-16-26(21)33)28(25)36(35-27)24-13-5-4-6-14-24/h7-8,10,18,22,24-27,29H,2-6,9,11-17,19-21H2,1H3,(H,36,39);6-7,9,19,21-25,27,29H,1-5,8,10-18H2,(H,34,37);8,10-11,16,22-24,30H,4-7,9,12-15,17-20H2,1-3H3,(H,34,37)/t;;22?,23?,30-,32?/m..1/s1
InChIKeyNTFYZNAZMXSLFB-LZDPJPHRSA-N
XLogP24.12
TPSA140.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001590.55
LogP ≤ 524.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (CID 159878644) is N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is CC(NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2.CC12CCC(C1)C(C)(C)[C@H]2NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccccc1Cl.O=C(NC1C2CC3CC(C2)CC1C3)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1.
What is the InChIKey of N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is NTFYZNAZMXSLFB-LZDPJPHRSA-N. The full InChI is InChI=1S/C34H46ClN3O.C32H42ClN3O.C32H44ClN3O/c1-22(34-19-24-14-25(20-34)16-26(15-24)21-34)36-33(39)31-30-13-6-5-9-27(17-23-8-7-10-28(35)18-23)32(30)38(37-31)29-11-3-2-4-12-29;33-26-9-6-7-20(19-26)14-23-8-4-5-12-28-30(35-36(31(23)28)27-10-2-1-3-11-27)32(37)34-29-24-15-21-13-22(17-24)18-25(29)16-21;1-31(2)23-17-18-32(3,20-23)30(31)34-29(37)27-25-15-9-7-12-22(19-21-11-8-10-16-26(21)33)28(25)36(35-27)24-13-5-4-6-14-24/h7-8,10,18,22,24-27,29H,2-6,9,11-17,19-21H2,1H3,(H,36,39);6-7,9,19,21-25,27,29H,1-5,8,10-18H2,(H,34,37);8,10-11,16,22-24,30H,4-7,9,12-15,17-20H2,1-3H3,(H,34,37)/t;;22?,23?,30-,32?/m..1/s1.
What are the key properties of N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1590.55 g/mol, XLogP of 24.12, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-[1-(1-adamantyl)ethyl]-8-[(3-chlorophenyl)methyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 159878644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).