4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C11H18N4O3 — CID 107344126

IUPAC4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)n1cc(N)c(C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-6(2)4-13-10(16)7(3)15-5-8(12)9(14-15)11(17)18/h5-7H,4,12H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyXTUQAAQAKWWDFV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.50
Rot. Bonds5

About 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 107344126) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID107344126
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)n1cc(N)c(C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-6(2)4-13-10(16)7(3)15-5-8(12)9(14-15)11(17)18/h5-7H,4,12H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyXTUQAAQAKWWDFV-UHFFFAOYSA-N
XLogP0.50
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 61174849
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
4-amino-1-(1-amino-1-oxobutan-2-yl)pyrazole-3-carboxylic acid
CID 107344037
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703
2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
CID 165472875
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344279
5-(2-aminoethyl)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 103119450
5-ethyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 55029871
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 107345394

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 107344126) is 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CC(C)CNC(=O)C(C)n1cc(N)c(C(=O)O)n1.
What is the InChIKey of 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is XTUQAAQAKWWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)4-13-10(16)7(3)15-5-8(12)9(14-15)11(17)18/h5-7H,4,12H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).