5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide

C15H19ClN4O — CID 104684217

IUPAC5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-11(5-3-8-17)15(21)19-13-7-2-6-12(16)14(13)20-10-4-9-18-20/h2,4,6-7,9-11H,3,5,8,17H2,1H3,(H,19,21)
InChIKeyMWQVDEITBVGIKI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.84
Rot. Bonds6

About 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide

5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide (PubChem CID 104684217) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
PubChem CID104684217
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-11(5-3-8-17)15(21)19-13-7-2-6-12(16)14(13)20-10-4-9-18-20/h2,4,6-7,9-11H,3,5,8,17H2,1H3,(H,19,21)
InChIKeyMWQVDEITBVGIKI-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
CID 111473882
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide
CID 87039371
N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
CID 87039522

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide (CID 104684217) is 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide?
The InChIKey is MWQVDEITBVGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(5-3-8-17)15(21)19-13-7-2-6-12(16)14(13)20-10-4-9-18-20/h2,4,6-7,9-11H,3,5,8,17H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide?
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide has a molecular weight of 306.80 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide is sourced from PubChem (CID 104684217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).