(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride

C11H21ClN4O — CID 119750202

IUPAC(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1cnn(C)c1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-8(2)4-10(12)11(16)13-5-9-6-14-15(3)7-9;/h6-8,10H,4-5,12H2,1-3H3,(H,13,16);1H/t10-;/m0./s1
InChIKeyVNWQHNCLAYPWIT-PPHPATTJSA-N
MW260.77 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride (PubChem CID 119750202) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
PubChem CID119750202
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1cnn(C)c1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-8(2)4-10(12)11(16)13-5-9-6-14-15(3)7-9;/h6-8,10H,4-5,12H2,1-3H3,(H,13,16);1H/t10-;/m0./s1
InChIKeyVNWQHNCLAYPWIT-PPHPATTJSA-N
XLogP0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
[4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamic acid
CID 170170313
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid
CID 170168595
tert-butyl N-[(2S)-4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamate
CID 169192537
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride (CID 119750202) is (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCc1cnn(C)c1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride?
The InChIKey is VNWQHNCLAYPWIT-PPHPATTJSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-8(2)4-10(12)11(16)13-5-9-6-14-15(3)7-9;/h6-8,10H,4-5,12H2,1-3H3,(H,13,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 0.83, 5 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-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119750202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).