(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride

C14H17ClN4O — CID 119403052

IUPAC(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(-c2ccccc2)n[nH]1)N1CCNCC1
InChIInChI=1S/C14H16N4O.ClH/c19-14(18-8-6-15-7-9-18)13-10-12(16-17-13)11-4-2-1-3-5-11;/h1-5,10,15H,6-9H2,(H,16,17);1H
InChIKeyLDMHHZICPOECOH-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.54
Rot. Bonds2

About (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride

(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403052) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403052
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(-c2ccccc2)n[nH]1)N1CCNCC1
InChIInChI=1S/C14H16N4O.ClH/c19-14(18-8-6-15-7-9-18)13-10-12(16-17-13)11-4-2-1-3-5-11;/h1-5,10,15H,6-9H2,(H,16,17);1H
InChIKeyLDMHHZICPOECOH-UHFFFAOYSA-N
XLogP1.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977
N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 52529847
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 20910818

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119403052) is (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1cc(-c2ccccc2)n[nH]1)N1CCNCC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is LDMHHZICPOECOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c19-14(18-8-6-15-7-9-18)13-10-12(16-17-13)11-4-2-1-3-5-11;/h1-5,10,15H,6-9H2,(H,16,17);1H.
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).