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

C19H23FN4O — CID 39855125

IUPAC(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccn(C2CCCC2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O/c20-15-5-7-16(8-6-15)22-11-13-23(14-12-22)19(25)18-9-10-24(21-18)17-3-1-2-4-17/h5-10,17H,1-4,11-14H2
InChIKeyLCPKUBVYXCQGRH-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.10
Rot. Bonds3

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

(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 39855125) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID39855125
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccn(C2CCCC2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O/c20-15-5-7-16(8-6-15)22-11-13-23(14-12-22)19(25)18-9-10-24(21-18)17-3-1-2-4-17/h5-10,17H,1-4,11-14H2
InChIKeyLCPKUBVYXCQGRH-UHFFFAOYSA-N
XLogP3.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclopentylpyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023312
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999
(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997672
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 39855125) is (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccn(C2CCCC2)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LCPKUBVYXCQGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-15-5-7-16(8-6-15)22-11-13-23(14-12-22)19(25)18-9-10-24(21-18)17-3-1-2-4-17/h5-10,17H,1-4,11-14H2.
What are the key properties of (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39855125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).