1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C11H7ClF3N3O3 — CID 176658898

IUPAC1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCOc1nc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H7ClF3N3O3/c1-21-9-6(12)2-3-7(17-9)18-8(11(13,14)15)5(4-16-18)10(19)20/h2-4H,1H3,(H,19,20)
InChIKeyKFVSRSSUPBUTDW-UHFFFAOYSA-N
MW321.64 g/mol
LogP2.65
Rot. Bonds3

About 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 176658898) has the molecular formula C11H7ClF3N3O3 and a molecular weight of 321.64 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID176658898
Molecular FormulaC11H7ClF3N3O3
Molecular Weight321.64 g/mol
Exact Mass321.01
IUPAC Name1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCOc1nc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H7ClF3N3O3/c1-21-9-6(12)2-3-7(17-9)18-8(11(13,14)15)5(4-16-18)10(19)20/h2-4H,1H3,(H,19,20)
InChIKeyKFVSRSSUPBUTDW-UHFFFAOYSA-N
XLogP2.65
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 166545510
1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285397
1-[2-(3,4-dichlorophenyl)pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 42624074
1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68872265
1-(4,5-dichloro-2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163322133
1-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
1-[6-(5-formyl-2-methoxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 87662996
1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 66939464
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 1482612
[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31532998
N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530909
1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 141242026

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 176658898) is 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is COc1nc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is KFVSRSSUPBUTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O3/c1-21-9-6(12)2-3-7(17-9)18-8(11(13,14)15)5(4-16-18)10(19)20/h2-4H,1H3,(H,19,20).
What are the key properties of 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 321.64 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 176658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).