(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide

C11H20N4O — CID 104903310

IUPAC(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C11H20N4O/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)/t10-/m1/s1
InChIKeyFYBVVFZWMTZEQL-SNVBAGLBSA-N
MW224.31 g/mol
LogP0.41
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide

(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide (PubChem CID 104903310) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
PubChem CID104903310
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C11H20N4O/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)/t10-/m1/s1
InChIKeyFYBVVFZWMTZEQL-SNVBAGLBSA-N
XLogP0.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 119750202
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
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
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide (CID 104903310) is (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide is CC(C)C[C@@H](N)C(=O)NCc1cnn(C)c1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is FYBVVFZWMTZEQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4O/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)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 104903310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).