1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one

C17H21N3O — CID 64783174

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H21N3O/c21-17(11-14-5-4-9-18-13-14)12-15-8-10-20(19-15)16-6-2-1-3-7-16/h4-5,8-10,13,16H,1-3,6-7,11-12H2
InChIKeyRKQXNKWPFAFKDZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.14
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one

1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one (PubChem CID 64783174) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
PubChem CID64783174
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H21N3O/c21-17(11-14-5-4-9-18-13-14)12-15-8-10-20(19-15)16-6-2-1-3-7-16/h4-5,8-10,13,16H,1-3,6-7,11-12H2
InChIKeyRKQXNKWPFAFKDZ-UHFFFAOYSA-N
XLogP3.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105104774
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one (CID 64783174) is 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one is O=C(Cc1cccnc1)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one?
The InChIKey is RKQXNKWPFAFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(11-14-5-4-9-18-13-14)12-15-8-10-20(19-15)16-6-2-1-3-7-16/h4-5,8-10,13,16H,1-3,6-7,11-12H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 64783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).