1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one

C16H25N3O — CID 116559419

IUPAC1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H25N3O/c20-16(8-10-17-13-6-7-13)12-14-9-11-19(18-14)15-4-2-1-3-5-15/h9,11,13,15,17H,1-8,10,12H2
InChIKeyXUCVUFWVBTZJPC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one

1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one (PubChem CID 116559419) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
PubChem CID116559419
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H25N3O/c20-16(8-10-17-13-6-7-13)12-14-9-11-19(18-14)15-4-2-1-3-5-15/h9,11,13,15,17H,1-8,10,12H2
InChIKeyXUCVUFWVBTZJPC-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591641
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
CID 114977442
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one (CID 116559419) is 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one is O=C(CCNC1CC1)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one?
The InChIKey is XUCVUFWVBTZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(8-10-17-13-6-7-13)12-14-9-11-19(18-14)15-4-2-1-3-5-15/h9,11,13,15,17H,1-8,10,12H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one is sourced from PubChem (CID 116559419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).