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

C11H13N5O3 — CID 136552840

IUPAC2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCn1nccc1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C11H13N5O3/c1-2-16-8(3-5-12-16)11(19)13-9-4-6-15(14-9)7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)(H,13,14,19)
InChIKeyUGHXAGZUUHHKJP-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.44
Rot. Bonds5

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

2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 136552840) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID136552840
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCn1nccc1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C11H13N5O3/c1-2-16-8(3-5-12-16)11(19)13-9-4-6-15(14-9)7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)(H,13,14,19)
InChIKeyUGHXAGZUUHHKJP-UHFFFAOYSA-N
XLogP0.44
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
CID 19398838
2-[5-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482421
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482640
2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230469
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
CID 1225480
N-(1,3-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide
CID 19345990
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 136552840) is 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid is CCn1nccc1C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is UGHXAGZUUHHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-16-8(3-5-12-16)11(19)13-9-4-6-15(14-9)7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)(H,13,14,19).
What are the key properties of 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 263.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 136552840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).