N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide

C22H21ClN4O — CID 19285296

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C22H21ClN4O/c23-19-9-3-1-6-17(19)15-27-13-12-21(26-27)25-22(28)11-5-7-16-14-24-20-10-4-2-8-18(16)20/h1-4,6,8-10,12-14,24H,5,7,11,15H2,(H,25,26,28)
InChIKeyRVENBDXLNWTUJJ-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.03
Rot. Bonds7

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide (PubChem CID 19285296) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
PubChem CID19285296
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C22H21ClN4O/c23-19-9-3-1-6-17(19)15-27-13-12-21(26-27)25-22(28)11-5-7-16-14-24-20-10-4-2-8-18(16)20/h1-4,6,8-10,12-14,24H,5,7,11,15H2,(H,25,26,28)
InChIKeyRVENBDXLNWTUJJ-UHFFFAOYSA-N
XLogP5.03
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19284482
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19406963
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955560
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19286987
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19285438
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19337105

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide (CID 19285296) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1ccn(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is RVENBDXLNWTUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-19-9-3-1-6-17(19)15-27-13-12-21(26-27)25-22(28)11-5-7-16-14-24-20-10-4-2-8-18(16)20/h1-4,6,8-10,12-14,24H,5,7,11,15H2,(H,25,26,28).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 392.89 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 19285296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).