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

C10H12N4O3 — CID 79778799

IUPAC4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid
SMILESCn1ccc(-n2cc(CCO)c(C(=O)O)n2)n1
InChIInChI=1S/C10H12N4O3/c1-13-4-2-8(11-13)14-6-7(3-5-15)9(12-14)10(16)17/h2,4,6,15H,3,5H2,1H3,(H,16,17)
InChIKeySBKAMKFHBCRMFQ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.16
Rot. Bonds4

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

4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid (PubChem CID 79778799) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid
PubChem CID79778799
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid
SMILESCn1ccc(-n2cc(CCO)c(C(=O)O)n2)n1
InChIInChI=1S/C10H12N4O3/c1-13-4-2-8(11-13)14-6-7(3-5-15)9(12-14)10(16)17/h2,4,6,15H,3,5H2,1H3,(H,16,17)
InChIKeySBKAMKFHBCRMFQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid (CID 79778799) is 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid is Cn1ccc(-n2cc(CCO)c(C(=O)O)n2)n1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid?
The InChIKey is SBKAMKFHBCRMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-13-4-2-8(11-13)14-6-7(3-5-15)9(12-14)10(16)17/h2,4,6,15H,3,5H2,1H3,(H,16,17).
What are the key properties of 4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-yl)pyrazole-3-carboxylic acid?
4-(2-hydroxyethyl)-1-(1-methylpyrazol-3-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-3-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 79778799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).