(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride

C13H25ClN4O — CID 119734157

IUPAC(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)Cn1cccn1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-10(2)7-12(14)13(18)15-8-11(3)9-17-6-4-5-16-17;/h4-6,10-12H,7-9,14H2,1-3H3,(H,15,18);1H/t11?,12-;/m0./s1
InChIKeyANGAVIQVGDXTNU-MMFRDWCLSA-N
MW288.82 g/mol
LogP1.43
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride (PubChem CID 119734157) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
PubChem CID119734157
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)Cn1cccn1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-10(2)7-12(14)13(18)15-8-11(3)9-17-6-4-5-16-17;/h4-6,10-12H,7-9,14H2,1-3H3,(H,15,18);1H/t11?,12-;/m0./s1
InChIKeyANGAVIQVGDXTNU-MMFRDWCLSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 120589326
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119734111
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119734117
2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980921
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 60515248
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120788413
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride (CID 119734157) is (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC(C)Cn1cccn1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride?
The InChIKey is ANGAVIQVGDXTNU-MMFRDWCLSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-10(2)7-12(14)13(18)15-8-11(3)9-17-6-4-5-16-17;/h4-6,10-12H,7-9,14H2,1-3H3,(H,15,18);1H/t11?,12-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride is sourced from PubChem (CID 119734157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).