1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one

C14H23N3O — CID 113291145

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
SMILESCN(C)CCC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-16(2)9-8-14(18)11-12-7-10-17(15-12)13-5-3-4-6-13/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyBJDNORZUURSPSI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.06
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one

1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one (PubChem CID 113291145) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
PubChem CID113291145
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
SMILESCN(C)CCC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-16(2)9-8-14(18)11-12-7-10-17(15-12)13-5-3-4-6-13/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyBJDNORZUURSPSI-UHFFFAOYSA-N
XLogP2.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
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
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one (CID 113291145) is 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one is CN(C)CCC(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one?
The InChIKey is BJDNORZUURSPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)9-8-14(18)11-12-7-10-17(15-12)13-5-3-4-6-13/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.06, 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-(dimethylamino)butan-2-one is sourced from PubChem (CID 113291145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).