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

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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).