1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one

C12H19ClN4O — CID 70719252

IUPAC1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one
SMILESNC1CCCCN(C(=O)CCn2cc(Cl)cn2)C1
InChIInChI=1S/C12H19ClN4O/c13-10-7-15-17(8-10)6-4-12(18)16-5-2-1-3-11(14)9-16/h7-8,11H,1-6,9,14H2
InChIKeyUIYPROOSFWBGLO-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.27
Rot. Bonds3

About 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one

1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one (PubChem CID 70719252) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one
PubChem CID70719252
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one
SMILESNC1CCCCN(C(=O)CCn2cc(Cl)cn2)C1
InChIInChI=1S/C12H19ClN4O/c13-10-7-15-17(8-10)6-4-12(18)16-5-2-1-3-11(14)9-16/h7-8,11H,1-6,9,14H2
InChIKeyUIYPROOSFWBGLO-UHFFFAOYSA-N
XLogP1.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
(3S)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-N,N-dimethylazepan-3-amine
CID 70709104
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
(2S)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707097
(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
CID 125161578
4-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-cyclohexylpiperazin-2-one
CID 129618274
3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120812452
3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120812453
(4S)-4-amino-1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-N-isopropyl-L-prolinamide
CID 56708481
1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-N-cyclopropyl-2-piperazinecarboxamide
CID 56881716
1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-N,N-dimethyl-4-azepanamine
CID 56903132
N-{1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}-N,N',N'-trimethyl-1,2-ethanediamine
CID 56912431

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one (CID 70719252) is 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one is NC1CCCCN(C(=O)CCn2cc(Cl)cn2)C1.
What is the InChIKey of 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one?
The InChIKey is UIYPROOSFWBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c13-10-7-15-17(8-10)6-4-12(18)16-5-2-1-3-11(14)9-16/h7-8,11H,1-6,9,14H2.
What are the key properties of 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one?
1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one has a molecular weight of 270.76 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one is sourced from PubChem (CID 70719252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).