5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid

C17H18F2N2O3 — CID 155311271

IUPAC5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(OC(F)F)cc2)c(C2CCCC2)c1C(=O)O
InChIInChI=1S/C17H18F2N2O3/c1-10-14(16(22)23)15(11-4-2-3-5-11)21(20-10)12-6-8-13(9-7-12)24-17(18)19/h6-9,11,17H,2-5H2,1H3,(H,22,23)
InChIKeyKREWGZQQLVXNLG-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.14
Rot. Bonds5

About 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid

5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid (PubChem CID 155311271) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
PubChem CID155311271
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(OC(F)F)cc2)c(C2CCCC2)c1C(=O)O
InChIInChI=1S/C17H18F2N2O3/c1-10-14(16(22)23)15(11-4-2-3-5-11)21(20-10)12-6-8-13(9-7-12)24-17(18)19/h6-9,11,17H,2-5H2,1H3,(H,22,23)
InChIKeyKREWGZQQLVXNLG-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid
CID 155311225
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55385283
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
2-[4-(difluoromethoxy)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 134124119
1-(4-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058217
N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
CID 99842219
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693
(2S)-1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119910715
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
N-(2-amino-1-cyclohexylethyl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide;hydrochloride
CID 119591344

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid (CID 155311271) is 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid is Cc1nn(-c2ccc(OC(F)F)cc2)c(C2CCCC2)c1C(=O)O.
What is the InChIKey of 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
The InChIKey is KREWGZQQLVXNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10-14(16(22)23)15(11-4-2-3-5-11)21(20-10)12-6-8-13(9-7-12)24-17(18)19/h6-9,11,17H,2-5H2,1H3,(H,22,23).
What are the key properties of 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid has a molecular weight of 336.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 155311271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).