1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid

C10H10F2N4O3 — CID 23201644

IUPAC1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(OC(F)F)n[nH]c1-n1ncc(C(=O)O)c1C
InChIInChI=1S/C10H10F2N4O3/c1-4-7(14-15-8(4)19-10(11)12)16-5(2)6(3-13-16)9(17)18/h3,10H,1-2H3,(H,14,15)(H,17,18)
InChIKeyBPLZYHARVORKOX-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.51
Rot. Bonds4

About 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid

1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid (PubChem CID 23201644) has the molecular formula C10H10F2N4O3 and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid
PubChem CID23201644
Molecular FormulaC10H10F2N4O3
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Name1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(OC(F)F)n[nH]c1-n1ncc(C(=O)O)c1C
InChIInChI=1S/C10H10F2N4O3/c1-4-7(14-15-8(4)19-10(11)12)16-5(2)6(3-13-16)9(17)18/h3,10H,1-2H3,(H,14,15)(H,17,18)
InChIKeyBPLZYHARVORKOX-UHFFFAOYSA-N
XLogP1.51
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
CID 175566202
1-[5-(difluoromethoxy)-1,4-dimethylpyrazol-3-yl]-5-methylpyrazole-4-carbonyl chloride
CID 152627984
1-(1H-imidazol-2-yl)-5-methylpyrazole-4-carboxylic acid
CID 96624339
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
1-(2-bromophenyl)-5-methylpyrazole-4-carboxylic acid
CID 43542795
5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid
CID 126739457
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094
1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
CID 86692420
5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride
CID 175604971

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid (CID 23201644) is 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid is Cc1c(OC(F)F)n[nH]c1-n1ncc(C(=O)O)c1C.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid?
The InChIKey is BPLZYHARVORKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O3/c1-4-7(14-15-8(4)19-10(11)12)16-5(2)6(3-13-16)9(17)18/h3,10H,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid?
1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid has a molecular weight of 272.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methyl-1H-pyrazol-5-yl]-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 23201644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).