(3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H19ClN4O — CID 75527213

IUPAC(3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H19ClN4O/c21-17-8-4-7-16(13-17)20(26)25-11-9-24(10-12-25)19-14-18(22-23-19)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyKRCVHRCZNGZXBS-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.69
Rot. Bonds3

About (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527213) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527213
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H19ClN4O/c21-17-8-4-7-16(13-17)20(26)25-11-9-24(10-12-25)19-14-18(22-23-19)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyKRCVHRCZNGZXBS-UHFFFAOYSA-N
XLogP3.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527213) is (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is KRCVHRCZNGZXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-8-4-7-16(13-17)20(26)25-11-9-24(10-12-25)19-14-18(22-23-19)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,23).
What are the key properties of (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 366.85 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).