(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C18H21FN4O — CID 120737538

IUPAC(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C1CC1
InChIInChI=1S/C18H21FN4O/c1-22-16(12-5-6-12)10-15(21-22)18(24)23-8-7-20-11-17(23)13-3-2-4-14(19)9-13/h2-4,9-10,12,17,20H,5-8,11H2,1H3
InChIKeyWUPXBXKFFMEVOF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.22
Rot. Bonds3

About (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120737538) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120737538
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C1CC1
InChIInChI=1S/C18H21FN4O/c1-22-16(12-5-6-12)10-15(21-22)18(24)23-8-7-20-11-17(23)13-3-2-4-14(19)9-13/h2-4,9-10,12,17,20H,5-8,11H2,1H3
InChIKeyWUPXBXKFFMEVOF-UHFFFAOYSA-N
XLogP2.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731863
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731862
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120737538) is (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is Cn1nc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WUPXBXKFFMEVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-22-16(12-5-6-12)10-15(21-22)18(24)23-8-7-20-11-17(23)13-3-2-4-14(19)9-13/h2-4,9-10,12,17,20H,5-8,11H2,1H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120737538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).