N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide

C22H22N4O2 — CID 60521295

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)[nH]n2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H22N4O2/c1-14-11-21(26-25-14)22(27)24-12-18(15-7-9-16(28-2)10-8-15)19-13-23-20-6-4-3-5-17(19)20/h3-11,13,18,23H,12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQXJTYVVPPKJAES-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 60521295) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID60521295
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)[nH]n2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H22N4O2/c1-14-11-21(26-25-14)22(27)24-12-18(15-7-9-16(28-2)10-8-15)19-13-23-20-6-4-3-5-17(19)20/h3-11,13,18,23H,12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQXJTYVVPPKJAES-UHFFFAOYSA-N
XLogP3.77
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 55395701
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 60521295) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(C)[nH]n2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QXJTYVVPPKJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-11-21(26-25-14)22(27)24-12-18(15-7-9-16(28-2)10-8-15)19-13-23-20-6-4-3-5-17(19)20/h3-11,13,18,23H,12H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60521295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).