4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine

C14H16ClN3 — CID 115053603

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1cccc(-c2cn[nH]c2C2CCNCC2)c1
InChIInChI=1S/C14H16ClN3/c15-12-3-1-2-11(8-12)13-9-17-18-14(13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18)
InChIKeyMJMUKWPDALZNKN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.20
Rot. Bonds2

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 115053603) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID115053603
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1cccc(-c2cn[nH]c2C2CCNCC2)c1
InChIInChI=1S/C14H16ClN3/c15-12-3-1-2-11(8-12)13-9-17-18-14(13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18)
InChIKeyMJMUKWPDALZNKN-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine 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

4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 110268744
3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 68785884
4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 115053994
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558221
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 46891023
5-chloro-2-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine
CID 169092540
3-(6,8-dichloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 68785983
5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119552969

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine (CID 115053603) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine is Clc1cccc(-c2cn[nH]c2C2CCNCC2)c1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is MJMUKWPDALZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-3-1-2-11(8-12)13-9-17-18-14(13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18).
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 261.76 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 115053603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).