2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid

C14H13F2N3O4 — CID 19500233

IUPAC2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(OC(F)F)c(NC(=O)c2ccn(CC(=O)O)n2)c1
InChIInChI=1S/C14H13F2N3O4/c1-8-2-3-11(23-14(15)16)10(6-8)17-13(22)9-4-5-19(18-9)7-12(20)21/h2-6,14H,7H2,1H3,(H,17,22)(H,20,21)
InChIKeySUVJZTNREUJTML-UHFFFAOYSA-N
MW325.27 g/mol
LogP2.13
Rot. Bonds6

About 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid

2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500233) has the molecular formula C14H13F2N3O4 and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500233
Molecular FormulaC14H13F2N3O4
Molecular Weight325.27 g/mol
Exact Mass325.09
IUPAC Name2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(OC(F)F)c(NC(=O)c2ccn(CC(=O)O)n2)c1
InChIInChI=1S/C14H13F2N3O4/c1-8-2-3-11(23-14(15)16)10(6-8)17-13(22)9-4-5-19(18-9)7-12(20)21/h2-6,14H,7H2,1H3,(H,17,22)(H,20,21)
InChIKeySUVJZTNREUJTML-UHFFFAOYSA-N
XLogP2.13
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-(difluoromethoxy)-5-methylanilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470718
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530895
3-[3-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506596
N-[2-(difluoromethoxy)-4-methylphenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269050
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027
2-[3-[[2-(difluoromethoxy)-4-methylphenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504196
1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
CID 19276837
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-5-methylphenyl]acetamide
CID 19523438

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19500233) is 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid is Cc1ccc(OC(F)F)c(NC(=O)c2ccn(CC(=O)O)n2)c1.
What is the InChIKey of 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is SUVJZTNREUJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O4/c1-8-2-3-11(23-14(15)16)10(6-8)17-13(22)9-4-5-19(18-9)7-12(20)21/h2-6,14H,7H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 325.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).