5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide

C20H20N4OS — CID 56748764

IUPAC5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1
InChIInChI=1S/C20H20N4OS/c1-14(10-15-7-9-26-13-15)21-20(25)18-11-17(22-23-18)12-24-8-6-16-4-2-3-5-19(16)24/h2-9,11,13-14H,10,12H2,1H3,(H,21,25)(H,22,23)
InChIKeyZFBAFBWJJRLCPH-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.84
Rot. Bonds6

About 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide

5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 56748764) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID56748764
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1
InChIInChI=1S/C20H20N4OS/c1-14(10-15-7-9-26-13-15)21-20(25)18-11-17(22-23-18)12-24-8-6-16-4-2-3-5-19(16)24/h2-9,11,13-14H,10,12H2,1H3,(H,21,25)(H,22,23)
InChIKeyZFBAFBWJJRLCPH-UHFFFAOYSA-N
XLogP3.84
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56754325
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45219502
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
5-(benzimidazol-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42520590
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
CID 55975353
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175

Frequently Asked Questions

What is the IUPAC name of 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide (CID 56748764) is 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide is CC(Cc1ccsc1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1.
What is the InChIKey of 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZFBAFBWJJRLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14(10-15-7-9-26-13-15)21-20(25)18-11-17(22-23-18)12-24-8-6-16-4-2-3-5-19(16)24/h2-9,11,13-14H,10,12H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56748764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).