3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid

C10H10N2O3 — CID 43620929

IUPAC3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
SMILESCc1cc(Cn2cccn2)oc1C(=O)O
InChIInChI=1S/C10H10N2O3/c1-7-5-8(15-9(7)10(13)14)6-12-4-2-3-11-12/h2-5H,6H2,1H3,(H,13,14)
InChIKeyNBRLHDCSQJLQAE-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.53
Rot. Bonds3

About 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid

3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid (PubChem CID 43620929) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
PubChem CID43620929
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
SMILESCc1cc(Cn2cccn2)oc1C(=O)O
InChIInChI=1S/C10H10N2O3/c1-7-5-8(15-9(7)10(13)14)6-12-4-2-3-11-12/h2-5H,6H2,1H3,(H,13,14)
InChIKeyNBRLHDCSQJLQAE-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

3-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43620966
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43620933
3-methyl-5-[(4-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 106548449
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 114393875
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103256805
5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621103
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 107223516
3-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-carboxylic acid
CID 62968587
5-[(3-ethylpiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621112
3-methyl-5-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 79936121

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid (CID 43620929) is 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid is Cc1cc(Cn2cccn2)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
The InChIKey is NBRLHDCSQJLQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-5-8(15-9(7)10(13)14)6-12-4-2-3-11-12/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
3-methyl-5-(pyrazol-1-ylmethyl)furan-2-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 3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43620929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).