4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

C11H18N4O3 — CID 107344279

IUPAC4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCC(C)CCNC(=O)Cn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-7(2)3-4-13-9(16)6-15-5-8(12)10(14-15)11(17)18/h5,7H,3-4,6,12H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyYNOYWVHTWSXBDQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds6

About 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 107344279) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID107344279
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCC(C)CCNC(=O)Cn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-7(2)3-4-13-9(16)6-15-5-8(12)10(14-15)11(17)18/h5,7H,3-4,6,12H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyYNOYWVHTWSXBDQ-UHFFFAOYSA-N
XLogP0.33
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622293
4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
CID 107345144
4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345403
1-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717107
4-amino-1-[2-(2-methylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344223
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 63338592
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344126
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
methyl 4-amino-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrazole-3-carboxylate
CID 107344698
4-amino-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344093

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 107344279) is 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is CC(C)CCNC(=O)Cn1cc(N)c(C(=O)O)n1.
What is the InChIKey of 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is YNOYWVHTWSXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(2)3-4-13-9(16)6-15-5-8(12)10(14-15)11(17)18/h5,7H,3-4,6,12H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).