1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one

C17H21N3O — CID 105107258

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
SMILESO=C(CCc1cccnc1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H21N3O/c21-17(8-7-14-4-3-10-18-13-14)12-15-9-11-20(19-15)16-5-1-2-6-16/h3-4,9-11,13,16H,1-2,5-8,12H2
InChIKeyFMHBEKCNZYQCDZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.14
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one

1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one (PubChem CID 105107258) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
PubChem CID105107258
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
SMILESO=C(CCc1cccnc1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H21N3O/c21-17(8-7-14-4-3-10-18-13-14)12-15-9-11-20(19-15)16-5-1-2-6-16/h3-4,9-11,13,16H,1-2,5-8,12H2
InChIKeyFMHBEKCNZYQCDZ-UHFFFAOYSA-N
XLogP3.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
CID 64783174
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
CID 114977442
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one (CID 105107258) is 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one is O=C(CCc1cccnc1)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one?
The InChIKey is FMHBEKCNZYQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(8-7-14-4-3-10-18-13-14)12-15-9-11-20(19-15)16-5-1-2-6-16/h3-4,9-11,13,16H,1-2,5-8,12H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 105107258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).