1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide

C12H18N4O3 — CID 19341993

IUPAC1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide
SMILESCC(=O)C(=O)Nc1cnn(C)c1C(=O)NCC(C)C
InChIInChI=1S/C12H18N4O3/c1-7(2)5-13-12(19)10-9(6-14-16(10)4)15-11(18)8(3)17/h6-7H,5H2,1-4H3,(H,13,19)(H,15,18)
InChIKeyRIJREIPYJWADCN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.33
Rot. Bonds5

About 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide

1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide (PubChem CID 19341993) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide
PubChem CID19341993
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide
SMILESCC(=O)C(=O)Nc1cnn(C)c1C(=O)NCC(C)C
InChIInChI=1S/C12H18N4O3/c1-7(2)5-13-12(19)10-9(6-14-16(10)4)15-11(18)8(3)17/h6-7H,5H2,1-4H3,(H,13,19)(H,15,18)
InChIKeyRIJREIPYJWADCN-UHFFFAOYSA-N
XLogP0.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylbutanoylamino)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341757
4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19342029
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835
1-methyl-4-[(2-methyl-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341766
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341944
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341823
4-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 17024099
1-methyl-N-(2-methylpropyl)-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 17024108
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-[[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341836
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide (CID 19341993) is 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide is CC(=O)C(=O)Nc1cnn(C)c1C(=O)NCC(C)C.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide?
The InChIKey is RIJREIPYJWADCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)5-13-12(19)10-9(6-14-16(10)4)15-11(18)8(3)17/h6-7H,5H2,1-4H3,(H,13,19)(H,15,18).
What are the key properties of 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide?
1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide is sourced from PubChem (CID 19341993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).