1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride

C19H26ClN5O2 — CID 119762042

IUPAC1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1-n1ccc(C(N)=O)n1)C1CCCNC1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-13(14-5-4-9-21-12-14)11-18(25)22-15-6-2-3-7-17(15)24-10-8-16(23-24)19(20)26;/h2-3,6-8,10,13-14,21H,4-5,9,11-12H2,1H3,(H2,20,26)(H,22,25);1H
InChIKeyPQBLIOYLTXDWAU-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.36
Rot. Bonds6

About 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride

1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119762042) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID119762042
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1-n1ccc(C(N)=O)n1)C1CCCNC1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-13(14-5-4-9-21-12-14)11-18(25)22-15-6-2-3-7-17(15)24-10-8-16(23-24)19(20)26;/h2-3,6-8,10,13-14,21H,4-5,9,11-12H2,1H3,(H2,20,26)(H,22,25);1H
InChIKeyPQBLIOYLTXDWAU-UHFFFAOYSA-N
XLogP2.36
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride 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-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
3-piperidin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 119856901
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride (CID 119762042) is 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride is CC(CC(=O)Nc1ccccc1-n1ccc(C(N)=O)n1)C1CCCNC1.Cl.
What is the InChIKey of 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is PQBLIOYLTXDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-13(14-5-4-9-21-12-14)11-18(25)22-15-6-2-3-7-17(15)24-10-8-16(23-24)19(20)26;/h2-3,6-8,10,13-14,21H,4-5,9,11-12H2,1H3,(H2,20,26)(H,22,25);1H.
What are the key properties of 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride?
1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-piperidin-3-ylbutanoylamino)phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119762042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).