3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid

C9H15N3O2 — CID 11992588

IUPAC3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCCC(C)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-3-4-6(2)10-8-5-7(9(13)14)11-12-8/h5-6H,3-4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyJATOMRITRJKYLG-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.71
Rot. Bonds5

About 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid

3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 11992588) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID11992588
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCCC(C)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-3-4-6(2)10-8-5-7(9(13)14)11-12-8/h5-6H,3-4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyJATOMRITRJKYLG-UHFFFAOYSA-N
XLogP1.71
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 2983756
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
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3133659
3-(dihexylamino)-1H-pyrazole-5-carboxylic acid
CID 11992689
3-[bis(cyclohexylmethyl)amino]-1H-pyrazole-5-carboxylic acid
CID 45270725
3-[bis(3-methylbutyl)amino]-1H-pyrazole-5-carboxylic acid
CID 45271541
3-(but-2-ynamido)-1H-pyrazole-5-carboxylic acid hydrochloride
CID 165696597
5-Amino-1-cyclopentyl-1H-pyrazole-3-carboxylic acid
CID 19619978
(5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 829402
(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 829403

Frequently Asked Questions

What is the IUPAC name of 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid (CID 11992588) is 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid is CCCC(C)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is JATOMRITRJKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-6(2)10-8-5-7(9(13)14)11-12-8/h5-6H,3-4H2,1-2H3,(H,13,14)(H2,10,11,12).
What are the key properties of 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid?
3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 197.24 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 11992588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).