3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid

C10H15N3O3 — CID 64527644

IUPAC3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCC(C)(C)C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H15N3O3/c1-4-10(2,3)9(16)11-7-5-6(8(14)15)12-13-7/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyCAKUQNKDAVMCAQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds4

About 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid

3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64527644) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64527644
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCC(C)(C)C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H15N3O3/c1-4-10(2,3)9(16)11-7-5-6(8(14)15)12-13-7/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyCAKUQNKDAVMCAQ-UHFFFAOYSA-N
XLogP1.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid
CID 11992588
3-(dipropylamino)-1H-pyrazole-5-carboxylic acid
CID 11992592
3-(butan-2-ylamino)-1H-pyrazole-5-carboxylic acid
CID 11992587
3-[bis(cyclopropylmethyl)amino]-1H-pyrazole-5-carboxylic acid
CID 45268162
3-(dihexylamino)-1H-pyrazole-5-carboxylic acid
CID 11992689
3-[bis(3-methylbutyl)amino]-1H-pyrazole-5-carboxylic acid
CID 45271541
4-bromo-5-acetamido-1H-pyrazole-3-carboxylic acid
CID 69151931
7-amino-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136257497
ethyl 3-acetamido-1H-pyrazole-5-carboxylate
CID 58810185
7-methyl-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 135455844
3-(but-2-ynamido)-1H-pyrazole-5-carboxylic acid hydrochloride
CID 165696597
ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate
CID 75447944

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid (CID 64527644) is 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid is CCC(C)(C)C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CAKUQNKDAVMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-10(2,3)9(16)11-7-5-6(8(14)15)12-13-7/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).