(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C17H28ClN5O — CID 120997672

IUPAC(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccn(C2CCCC2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H27N5O.ClH/c23-17(16-6-10-22(19-16)14-3-1-2-4-14)21-9-5-15(13-21)20-11-7-18-8-12-20;/h6,10,14-15,18H,1-5,7-9,11-13H2;1H
InChIKeyZMAQLXZZHUBFMZ-UHFFFAOYSA-N
MW353.90 g/mol
LogP1.54
Rot. Bonds3

About (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120997672) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120997672
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC Name(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccn(C2CCCC2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H27N5O.ClH/c23-17(16-6-10-22(19-16)14-3-1-2-4-14)21-9-5-15(13-21)20-11-7-18-8-12-20;/h6,10,14-15,18H,1-5,7-9,11-13H2;1H
InChIKeyZMAQLXZZHUBFMZ-UHFFFAOYSA-N
XLogP1.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
(1-cyclopentylpyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023312
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995601
[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
(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 39855125
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996986
(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656
2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124705021
[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997379
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120997672) is (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(c1ccn(C2CCCC2)n1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is ZMAQLXZZHUBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.ClH/c23-17(16-6-10-22(19-16)14-3-1-2-4-14)21-9-5-15(13-21)20-11-7-18-8-12-20;/h6,10,14-15,18H,1-5,7-9,11-13H2;1H.
What are the key properties of (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120997672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).