2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid

C10H10N2O3 — CID 60873102

IUPAC2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1cnn(Cc2occc2C(=O)O)c1
InChIInChI=1S/C10H10N2O3/c1-7-4-11-12(5-7)6-9-8(10(13)14)2-3-15-9/h2-5H,6H2,1H3,(H,13,14)
InChIKeyWJSSKRWXFIXZKZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.53
Rot. Bonds3

About 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid

2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 60873102) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
PubChem CID60873102
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1cnn(Cc2occc2C(=O)O)c1
InChIInChI=1S/C10H10N2O3/c1-7-4-11-12(5-7)6-9-8(10(13)14)2-3-15-9/h2-5H,6H2,1H3,(H,13,14)
InChIKeyWJSSKRWXFIXZKZ-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

1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630240
4-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 104651148
5-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 55172128
2-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 66342030
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477593
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63073046
2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
CID 79628887
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
2-[(4-propan-2-ylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 43585427
2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 43477624

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid (CID 60873102) is 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid is Cc1cnn(Cc2occc2C(=O)O)c1.
What is the InChIKey of 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is WJSSKRWXFIXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-4-11-12(5-7)6-9-8(10(13)14)2-3-15-9/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid?
2-[(4-methylpyrazol-1-yl)methyl]furan-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-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 60873102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).