2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid

C10H10N2O3 — CID 82376236

IUPAC2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(Cc2ccco2)n1
InChIInChI=1S/C10H10N2O3/c1-7-5-9(10(13)14)12(11-7)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyLOMWFVVKFMNAIC-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.53
Rot. Bonds3

About 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid

2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 82376236) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID82376236
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(Cc2ccco2)n1
InChIInChI=1S/C10H10N2O3/c1-7-5-9(10(13)14)12(11-7)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyLOMWFVVKFMNAIC-UHFFFAOYSA-N
XLogP1.53
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625
1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid
CID 117233267
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
2-(2,2-difluoroethyl)-5-methylpyrazole-3-carboxylic acid
CID 59398486
5-methyl-2-[(E)-3-phenylprop-2-enyl]pyrazole-3-carboxylic acid
CID 82293348
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 124926405
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 3157338
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97187338
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid (CID 82376236) is 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(Cc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is LOMWFVVKFMNAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-5-9(10(13)14)12(11-7)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid?
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82376236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).