(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide

C11H20N4O — CID 103811522

IUPAC(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
SMILESCc1nn(C)cc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)5-9(12)11(16)13-10-6-15(4)14-8(10)3/h6-7,9H,5,12H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyXLVSZVQOCHMQKZ-VIFPVBQESA-N
MW224.31 g/mol
LogP1.04
Rot. Bonds4

About (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide

(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide (PubChem CID 103811522) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
PubChem CID103811522
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
SMILESCc1nn(C)cc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)5-9(12)11(16)13-10-6-15(4)14-8(10)3/h6-7,9H,5,12H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyXLVSZVQOCHMQKZ-VIFPVBQESA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 61252272
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 102806615
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
N-(1,3-dimethylpyrazol-4-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102806891
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide (CID 103811522) is (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide is Cc1nn(C)cc1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide?
The InChIKey is XLVSZVQOCHMQKZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)5-9(12)11(16)13-10-6-15(4)14-8(10)3/h6-7,9H,5,12H2,1-4H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide?
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide is sourced from PubChem (CID 103811522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).