(2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide

C11H18N4O2 — CID 164638469

IUPAC(2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide
SMILESCC(C)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O
InChIInChI=1S/C11H18N4O2/c1-8(2)9(16)14-11(3,10(12)17)7-15-6-4-5-13-15/h4-6,8H,7H2,1-3H3,(H2,12,17)(H,14,16)/t11-/m0/s1
InChIKeyLMHRCBBBAKZAGE-NSHDSACASA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds5

About (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide

(2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide (PubChem CID 164638469) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide
PubChem CID164638469
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide
SMILESCC(C)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O
InChIInChI=1S/C11H18N4O2/c1-8(2)9(16)14-11(3,10(12)17)7-15-6-4-5-13-15/h4-6,8H,7H2,1-3H3,(H2,12,17)(H,14,16)/t11-/m0/s1
InChIKeyLMHRCBBBAKZAGE-NSHDSACASA-N
XLogP-0.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide (CID 164638469) is (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide is CC(C)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O.
What is the InChIKey of (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide?
The InChIKey is LMHRCBBBAKZAGE-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)9(16)14-11(3,10(12)17)7-15-6-4-5-13-15/h4-6,8H,7H2,1-3H3,(H2,12,17)(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide?
(2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide has a molecular weight of 238.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(2-methylpropanoylamino)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 164638469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).