2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid

C15H18N2O3 — CID 82827376

IUPAC2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
SMILESCc1c(OCc2ccn(C(C)C)n2)cccc1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-10(2)17-8-7-12(16-17)9-20-14-6-4-5-13(11(14)3)15(18)19/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyKDDZNVXATPNUAF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.05
Rot. Bonds5

About 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid

2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid (PubChem CID 82827376) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
PubChem CID82827376
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
SMILESCc1c(OCc2ccn(C(C)C)n2)cccc1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-10(2)17-8-7-12(16-17)9-20-14-6-4-5-13(11(14)3)15(18)19/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyKDDZNVXATPNUAF-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 107077483
3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 64773216
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
CID 82810212
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
(1-propan-2-ylpyrazol-3-yl)methyl 2-aminobenzoate
CID 64772466
3-[[2-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772203
2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 82826501
3-(furan-3-ylmethoxy)-2-methylbenzoic acid
CID 83171984
3-(cyanomethoxy)-2-methylbenzoic acid
CID 82829849
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66437561
5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65454446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
The IUPAC name of 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid (CID 82827376) is 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
The canonical SMILES for 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid is Cc1c(OCc2ccn(C(C)C)n2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
The InChIKey is KDDZNVXATPNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)17-8-7-12(16-17)9-20-14-6-4-5-13(11(14)3)15(18)19/h4-8,10H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid has a molecular weight of 274.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid is sourced from PubChem (CID 82827376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).