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

C14H16ClN3 — CID 124858934

IUPAC(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1cccc(-c2cn[nH]c2[C@H]2CCCNC2)c1
InChIInChI=1S/C14H16ClN3/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18)/t11-/m0/s1
InChIKeySQCCIRGQRAUKTN-NSHDSACASA-N
MW261.76 g/mol
LogP3.20
Rot. Bonds2

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

(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 124858934) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID124858934
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1cccc(-c2cn[nH]c2[C@H]2CCCNC2)c1
InChIInChI=1S/C14H16ClN3/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18)/t11-/m0/s1
InChIKeySQCCIRGQRAUKTN-NSHDSACASA-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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Related Compounds

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 115053603
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 110268744
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167879678
3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604305

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine (CID 124858934) is (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine is Clc1cccc(-c2cn[nH]c2[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is SQCCIRGQRAUKTN-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-5-1-3-10(7-12)13-9-17-18-14(13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
(3S)-3-[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 (3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 124858934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).