2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride

C11H21ClN4O — CID 119797909

IUPAC2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cnn(C)c1C.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-5-7(2)10(12)11(16)14-9-6-13-15(4)8(9)3;/h6-7,10H,5,12H2,1-4H3,(H,14,16);1H
InChIKeyVPHDCCYVEIIRRW-UHFFFAOYSA-N
MW260.77 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride

2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride (PubChem CID 119797909) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
PubChem CID119797909
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cnn(C)c1C.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-5-7(2)10(12)11(16)14-9-6-13-15(4)8(9)3;/h6-7,10H,5,12H2,1-4H3,(H,14,16);1H
InChIKeyVPHDCCYVEIIRRW-UHFFFAOYSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)propanamide
CID 134698028
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
CID 119782695
4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbenzamide
CID 61178927
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride (CID 119797909) is 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1cnn(C)c1C.Cl.
What is the InChIKey of 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride?
The InChIKey is VPHDCCYVEIIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-5-7(2)10(12)11(16)14-9-6-13-15(4)8(9)3;/h6-7,10H,5,12H2,1-4H3,(H,14,16);1H.
What are the key properties of 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride?
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119797909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).