5-ethyl-1H-pyrazole-3-carboxylic acid

C6H8N2O2 — CID 4913402

IUPAC5-ethyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)n[nH]1
InChIInChI=1S/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyWCQYJWRMYFJLRQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.67
Rot. Bonds2

About 5-ethyl-1H-pyrazole-3-carboxylic acid

5-ethyl-1H-pyrazole-3-carboxylic acid (PubChem CID 4913402) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-ethyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1H-pyrazole-3-carboxylic acid
PubChem CID4913402
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-ethyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)n[nH]1
InChIInChI=1S/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyWCQYJWRMYFJLRQ-UHFFFAOYSA-N
XLogP0.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(ethylsulfonylmethyl)-1H-pyrazole-3-carboxylic acid
CID 58810610
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
CID 58810628
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
5-(propan-2-ylsulfanylmethyl)-1H-pyrazole-3-carboxylic acid
CID 117215986
5-(3-acetyloxypropyl)-1H-pyrazole-3-carboxylic acid
CID 58810604
2-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192093
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
5-(2-methylbutan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 69116852
4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216376
5-[(2-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093063

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1H-pyrazole-3-carboxylic acid (CID 4913402) is 5-ethyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1H-pyrazole-3-carboxylic acid is CCc1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-ethyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is WCQYJWRMYFJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 5-ethyl-1H-pyrazole-3-carboxylic acid?
5-ethyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 4913402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).