N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide

C18H23ClN4O — CID 119773568

IUPACN-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccnn1-c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C18H23ClN4O/c1-13(14-4-3-8-20-12-14)10-18(24)22-17-7-9-21-23(17)16-6-2-5-15(19)11-16/h2,5-7,9,11,13-14,20H,3-4,8,10,12H2,1H3,(H,22,24)
InChIKeyCHZCMSKHRXDEMZ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide

N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119773568) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide
PubChem CID119773568
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccnn1-c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C18H23ClN4O/c1-13(14-4-3-8-20-12-14)10-18(24)22-17-7-9-21-23(17)16-6-2-5-15(19)11-16/h2,5-7,9,11,13-14,20H,3-4,8,10,12H2,1H3,(H,22,24)
InChIKeyCHZCMSKHRXDEMZ-UHFFFAOYSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide 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-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773583
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 119704837
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234
3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 119788718
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-(1-pyrimidin-2-ylpyrazol-4-yl)butanamide;hydrochloride
CID 119792908
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119773965

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide (CID 119773568) is N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccnn1-c1cccc(Cl)c1)C1CCCNC1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is CHZCMSKHRXDEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13(14-4-3-8-20-12-14)10-18(24)22-17-7-9-21-23(17)16-6-2-5-15(19)11-16/h2,5-7,9,11,13-14,20H,3-4,8,10,12H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide?
N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 346.86 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119773568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).