(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone

C17H14ClN3O — CID 175238918

IUPAC(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn(-c2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C17H14ClN3O/c18-14-5-3-12(4-6-14)17(22)13-7-8-21(10-13)16-9-15(19-20-16)11-1-2-11/h3-11H,1-2H2,(H,19,20)
InChIKeyPREGEHQZAXMUJH-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.96
Rot. Bonds4

About (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone

(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone (PubChem CID 175238918) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone
PubChem CID175238918
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn(-c2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C17H14ClN3O/c18-14-5-3-12(4-6-14)17(22)13-7-8-21(10-13)16-9-15(19-20-16)11-1-2-11/h3-11H,1-2H2,(H,19,20)
InChIKeyPREGEHQZAXMUJH-UHFFFAOYSA-N
XLogP3.96
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone (CID 175238918) is (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone is O=C(c1ccc(Cl)cc1)c1ccn(-c2cc(C3CC3)[nH]n2)c1.
What is the InChIKey of (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone?
The InChIKey is PREGEHQZAXMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-14-5-3-12(4-6-14)17(22)13-7-8-21(10-13)16-9-15(19-20-16)11-1-2-11/h3-11H,1-2H2,(H,19,20).
What are the key properties of (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone?
(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone has a molecular weight of 311.77 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone is sourced from PubChem (CID 175238918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).