[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

C18H21FN4O — CID 47076704

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H21FN4O/c19-15-2-1-3-16(12-15)23-7-6-17(20-23)18(24)22-10-8-21(9-11-22)13-14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2
InChIKeyPFXFFYZGGZHCNA-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.18
Rot. Bonds4

About [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 47076704) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID47076704
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H21FN4O/c19-15-2-1-3-16(12-15)23-7-6-17(20-23)18(24)22-10-8-21(9-11-22)13-14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2
InChIKeyPFXFFYZGGZHCNA-UHFFFAOYSA-N
XLogP2.18
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47894993
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 47850211
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346124
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (CID 47076704) is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is O=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is PFXFFYZGGZHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-2-1-3-16(12-15)23-7-6-17(20-23)18(24)22-10-8-21(9-11-22)13-14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 47076704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).