N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide

C33H41N5O — CID 44534146

IUPACN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CCC(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C33H41N5O/c1-2-8-32-30(22-35-38(32)27-9-4-3-5-10-27)33(39)36-26-15-13-24(14-16-26)23-37-19-17-25(18-20-37)29-21-34-31-12-7-6-11-28(29)31/h3-7,9-12,21-22,24-26,34H,2,8,13-20,23H2,1H3,(H,36,39)
InChIKeyFEPBKCIZGPRKBR-UHFFFAOYSA-N
MW523.73 g/mol
LogP6.47
Rot. Bonds8

About N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide

N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 44534146) has the molecular formula C33H41N5O and a molecular weight of 523.73 g/mol. Its IUPAC name is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID44534146
Molecular FormulaC33H41N5O
Molecular Weight523.73 g/mol
Exact Mass523.33
IUPAC NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CCC(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C33H41N5O/c1-2-8-32-30(22-35-38(32)27-9-4-3-5-10-27)33(39)36-26-15-13-24(14-16-26)23-37-19-17-25(18-20-37)29-21-34-31-12-7-6-11-28(29)31/h3-7,9-12,21-22,24-26,34H,2,8,13-20,23H2,1H3,(H,36,39)
InChIKeyFEPBKCIZGPRKBR-UHFFFAOYSA-N
XLogP6.47
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.73
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide with MolForge

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Related Compounds

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CID 122705799
5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
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1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
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CID 15958914
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CID 21252903
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide (CID 44534146) is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NC2CCC(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1ccccc1.
What is the InChIKey of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is FEPBKCIZGPRKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O/c1-2-8-32-30(22-35-38(32)27-9-4-3-5-10-27)33(39)36-26-15-13-24(14-16-26)23-37-19-17-25(18-20-37)29-21-34-31-12-7-6-11-28(29)31/h3-7,9-12,21-22,24-26,34H,2,8,13-20,23H2,1H3,(H,36,39).
What are the key properties of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 523.73 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 44534146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).