(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide

C15H19ClN4O — CID 107144309

IUPAC(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-2-3-7-12(17)15(21)19-13-8-4-6-11(16)14(13)20-10-5-9-18-20/h4-6,8-10,12H,2-3,7,17H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyBKOOSMMLTUGARB-LBPRGKRZSA-N
MW306.80 g/mol
LogP2.98
Rot. Bonds6

About (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide

(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide (PubChem CID 107144309) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
PubChem CID107144309
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-2-3-7-12(17)15(21)19-13-8-4-6-11(16)14(13)20-10-5-9-18-20/h4-6,8-10,12H,2-3,7,17H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyBKOOSMMLTUGARB-LBPRGKRZSA-N
XLogP2.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
CID 104684217
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
CID 111473882
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
(2S)-2-amino-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methylsulfanylbutanamide
CID 61178604
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide (CID 107144309) is (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide?
The InChIKey is BKOOSMMLTUGARB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-3-7-12(17)15(21)19-13-8-4-6-11(16)14(13)20-10-5-9-18-20/h4-6,8-10,12H,2-3,7,17H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide?
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide has a molecular weight of 306.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide is sourced from PubChem (CID 107144309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).