(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C18H23N5O — CID 120996125

IUPAC(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H23N5O/c24-18(17-7-11-23(20-17)15-4-2-1-3-5-15)22-10-6-16(14-22)21-12-8-19-9-13-21/h1-5,7,11,16,19H,6,8-10,12-14H2
InChIKeySJAIDDNJAOWPQY-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.99
Rot. Bonds3

About (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120996125) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120996125
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H23N5O/c24-18(17-7-11-23(20-17)15-4-2-1-3-5-15)22-10-6-16(14-22)21-12-8-19-9-13-21/h1-5,7,11,16,19H,6,8-10,12-14H2
InChIKeySJAIDDNJAOWPQY-UHFFFAOYSA-N
XLogP0.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-nitrophenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996077
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994712
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997672
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995601
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
[(3R)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-[1-(4-nitrophenyl)pyrazol-3-yl]methanone
CID 98188580
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997379

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120996125) is (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccn(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is SJAIDDNJAOWPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(17-7-11-23(20-17)15-4-2-1-3-5-15)22-10-6-16(14-22)21-12-8-19-9-13-21/h1-5,7,11,16,19H,6,8-10,12-14H2.
What are the key properties of (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120996125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).