(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide

C11H20N4O — CID 93240679

IUPAC(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](N)C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H20N4O/c1-5-6(2)9(12)11(16)13-10-7(3)14-15-8(10)4/h6,9H,5,12H2,1-4H3,(H,13,16)(H,14,15)/t6-,9-/m1/s1
InChIKeyIHYQDPXVEPWOIX-HZGVNTEJSA-N
MW224.31 g/mol
LogP1.34
Rot. Bonds4

About (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide

(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide (PubChem CID 93240679) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
PubChem CID93240679
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](N)C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H20N4O/c1-5-6(2)9(12)11(16)13-10-7(3)14-15-8(10)4/h6,9H,5,12H2,1-4H3,(H,13,16)(H,14,15)/t6-,9-/m1/s1
InChIKeyIHYQDPXVEPWOIX-HZGVNTEJSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
CID 43546964
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
CID 54592690
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
CID 114074252
2-cyclopropyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 79506566
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
methyl 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoate
CID 66113995
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide?
The IUPAC name of (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide (CID 93240679) is (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide.
What is the SMILES notation for (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide?
The canonical SMILES for (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide is CC[C@@H](C)[C@@H](N)C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide?
The InChIKey is IHYQDPXVEPWOIX-HZGVNTEJSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-6(2)9(12)11(16)13-10-7(3)14-15-8(10)4/h6,9H,5,12H2,1-4H3,(H,13,16)(H,14,15)/t6-,9-/m1/s1.
What are the key properties of (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide?
(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide is sourced from PubChem (CID 93240679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).