2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid

C12H13N3O3S — CID 119231148

IUPAC2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCc1ccsc1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C12H13N3O3S/c1-2-8-4-6-19-11(8)12(18)13-9-3-5-15(14-9)7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyAXSVKTIZCZOVMJ-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.84
Rot. Bonds5

About 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119231148) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID119231148
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCc1ccsc1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C12H13N3O3S/c1-2-8-4-6-19-11(8)12(18)13-9-3-5-15(14-9)7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyAXSVKTIZCZOVMJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230469
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120524695
2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125153102
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 119231006

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 119231148) is 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid is CCc1ccsc1C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is AXSVKTIZCZOVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-2-8-4-6-19-11(8)12(18)13-9-3-5-15(14-9)7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).