N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C13H22N4O2 — CID 119066771

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccnn1C(C)C)C(N)=O
InChIInChI=1S/C13H22N4O2/c1-8(2)7-10(12(14)18)16-13(19)11-5-6-15-17(11)9(3)4/h5-6,8-10H,7H2,1-4H3,(H2,14,18)(H,16,19)/t10-/m0/s1
InChIKeyCUEYOCUDWOSDPP-JTQLQIEISA-N
MW266.34 g/mol
LogP1.09
Rot. Bonds6

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 119066771) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID119066771
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccnn1C(C)C)C(N)=O
InChIInChI=1S/C13H22N4O2/c1-8(2)7-10(12(14)18)16-13(19)11-5-6-15-17(11)9(3)4/h5-6,8-10H,7H2,1-4H3,(H2,14,18)(H,16,19)/t10-/m0/s1
InChIKeyCUEYOCUDWOSDPP-JTQLQIEISA-N
XLogP1.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
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N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
(8aR,11aS)-1-(2-ethylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201569
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 119066771) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)C[C@H](NC(=O)c1ccnn1C(C)C)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is CUEYOCUDWOSDPP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)7-10(12(14)18)16-13(19)11-5-6-15-17(11)9(3)4/h5-6,8-10H,7H2,1-4H3,(H2,14,18)(H,16,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119066771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).