(4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone

C17H18F2N4O — CID 99822727

IUPAC(4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H18F2N4O/c18-12-1-4-16(14(19)11-12)23-6-5-15(20-23)17(24)22-9-7-21(8-10-22)13-2-3-13/h1,4-6,11,13H,2-3,7-10H2
InChIKeyXJHLCIIKIMMQKR-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.07
Rot. Bonds3

About (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone

(4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone (PubChem CID 99822727) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone
PubChem CID99822727
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H18F2N4O/c18-12-1-4-16(14(19)11-12)23-6-5-15(20-23)17(24)22-9-7-21(8-10-22)13-2-3-13/h1,4-6,11,13H,2-3,7-10H2
InChIKeyXJHLCIIKIMMQKR-UHFFFAOYSA-N
XLogP2.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 126795965
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone
CID 128876674
1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55649494
2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 122067551
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 47850211
[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 154762709
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
1-(2,5-difluorophenyl)pyrazole-3-carboxylic acid
CID 43363474
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 87028582

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone (CID 99822727) is (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone is O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is XJHLCIIKIMMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-12-1-4-16(14(19)11-12)23-6-5-15(20-23)17(24)22-9-7-21(8-10-22)13-2-3-13/h1,4-6,11,13H,2-3,7-10H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone?
(4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 332.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[1-(2,4-difluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 99822727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).