1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride

C10H7ClF3N3O2 — CID 134690748

IUPAC1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C10H6F3N3O2.ClH/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7;/h1-5H,(H,17,18);1H
InChIKeyUAVCMEYXLBCROK-UHFFFAOYSA-N
MW293.63 g/mol
LogP2.41
Rot. Bonds2

About 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride

1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride (PubChem CID 134690748) has the molecular formula C10H7ClF3N3O2 and a molecular weight of 293.63 g/mol. Its IUPAC name is 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
PubChem CID134690748
Molecular FormulaC10H7ClF3N3O2
Molecular Weight293.63 g/mol
Exact Mass293.02
IUPAC Name1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C10H6F3N3O2.ClH/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7;/h1-5H,(H,17,18);1H
InChIKeyUAVCMEYXLBCROK-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride (CID 134690748) is 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnn(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is UAVCMEYXLBCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2.ClH/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7;/h1-5H,(H,17,18);1H.
What are the key properties of 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride?
1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 293.63 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 134690748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).