4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide

C16H17N7OS — CID 19334963

IUPAC4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
SMILESCCn1cc(-c2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)cn1
InChIInChI=1S/C16H17N7OS/c1-5-22-7-10(6-18-22)13-19-14-11-9(2)12(16(24)21(3)4)25-15(11)17-8-23(14)20-13/h6-8H,5H2,1-4H3
InChIKeyGNCAJTLUALFREA-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.23
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide

4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide (PubChem CID 19334963) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
PubChem CID19334963
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
SMILESCCn1cc(-c2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)cn1
InChIInChI=1S/C16H17N7OS/c1-5-22-7-10(6-18-22)13-19-14-11-9(2)12(16(24)21(3)4)25-15(11)17-8-23(14)20-13/h6-8H,5H2,1-4H3
InChIKeyGNCAJTLUALFREA-UHFFFAOYSA-N
XLogP2.23
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide with MolForge

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Related Compounds

4-[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334953
N,N,12-trimethyl-4-[(3-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334964
4-(2-bromophenyl)-N,N-diethyl-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19581239
N,N-diethyl-12-methyl-4-(2-methylpyrazol-3-yl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19573340
4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334952
N,N-diethyl-12-methyl-4-(2-nitrophenyl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19580650
methyl 12-methyl-4-[3-(pyrazol-1-ylmethyl)phenyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19573602
4-[1-(3-methoxy-4-nitropyrazol-1-yl)ethyl]-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide
CID 19334954
methyl 12-methyl-4-(1-methylpyrazol-3-yl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334847
11,12-dimethyl-4-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19583676
methyl 12-methyl-4-[4-[(5-methyl-3-nitropyrazol-1-yl)methyl]phenyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19581453
methyl 12-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334877

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide (CID 19334963) is 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide is CCn1cc(-c2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
The InChIKey is GNCAJTLUALFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-5-22-7-10(6-18-22)13-19-14-11-9(2)12(16(24)21(3)4)25-15(11)17-8-23(14)20-13/h6-8H,5H2,1-4H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide?
4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N,N,12-trimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxamide is sourced from PubChem (CID 19334963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).