1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one

C14H24N4O — CID 75497371

IUPAC1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one
SMILESCC(CC(=O)N1CCCCCC1)Nc1cnn(C)c1
InChIInChI=1S/C14H24N4O/c1-12(16-13-10-15-17(2)11-13)9-14(19)18-7-5-3-4-6-8-18/h10-12,16H,3-9H2,1-2H3
InChIKeyFIBWHRGRPPFAJY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds4

About 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one

1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one (PubChem CID 75497371) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one
PubChem CID75497371
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one
SMILESCC(CC(=O)N1CCCCCC1)Nc1cnn(C)c1
InChIInChI=1S/C14H24N4O/c1-12(16-13-10-15-17(2)11-13)9-14(19)18-7-5-3-4-6-8-18/h10-12,16H,3-9H2,1-2H3
InChIKeyFIBWHRGRPPFAJY-UHFFFAOYSA-N
XLogP2.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
1-(azepan-1-yl)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]butan-1-one
CID 86787772
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219554
(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 99619216
6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 75472339
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one (CID 75497371) is 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one is CC(CC(=O)N1CCCCCC1)Nc1cnn(C)c1.
What is the InChIKey of 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one?
The InChIKey is FIBWHRGRPPFAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(16-13-10-15-17(2)11-13)9-14(19)18-7-5-3-4-6-8-18/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one?
1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one is sourced from PubChem (CID 75497371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).