4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid

C10H12N4O3 — CID 79779719

IUPAC4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
SMILESCn1cc(-n2cc(CCO)c(C(=O)O)n2)cn1
InChIInChI=1S/C10H12N4O3/c1-13-6-8(4-11-13)14-5-7(2-3-15)9(12-14)10(16)17/h4-6,15H,2-3H2,1H3,(H,16,17)
InChIKeyINXFEVHUKANGHS-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.16
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid

4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid (PubChem CID 79779719) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
PubChem CID79779719
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
SMILESCn1cc(-n2cc(CCO)c(C(=O)O)n2)cn1
InChIInChI=1S/C10H12N4O3/c1-13-6-8(4-11-13)14-5-7(2-3-15)9(12-14)10(16)17/h4-6,15H,2-3H2,1H3,(H,16,17)
InChIKeyINXFEVHUKANGHS-UHFFFAOYSA-N
XLogP-0.16
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-1-methyl-1H-pyrazole-3-carboxylic acid
CID 57282570
1'-methyl-1'H-[1,4'-bipyrazole]-3-carboxylic acid
CID 79779409
5-Methyl-1-[(1-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrazole-3-carboxylic acid
CID 90351291
4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid
CID 123738661
4-Ethyl-1-pentan-3-ylpyrazole-3-carboxylic acid
CID 126743984
4-Ethyl-1-pentylpyrazole-3-carboxylic acid
CID 126743986
Ethyl 1,5-dimethyl-4-(triazol-1-ylmethyl)pyrazole-3-carboxylate
CID 166101950
Methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 55267987
1-(1-Methylpyrazol-4-yl)-5-propan-2-yltriazole-4-carboxylic acid
CID 79778486
5-Tert-butyl-1-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid
CID 79778682
4-(2-Hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid
CID 79778799
1-(1-Methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 79779306

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid (CID 79779719) is 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid is Cn1cc(-n2cc(CCO)c(C(=O)O)n2)cn1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is INXFEVHUKANGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-13-6-8(4-11-13)14-5-7(2-3-15)9(12-14)10(16)17/h4-6,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 79779719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).