2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid

C17H13F3N4O2 — CID 22320171

IUPAC2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2C(=O)O)n(-c2ccccn2)n1
InChIInChI=1S/C17H13F3N4O2/c1-10-8-15(24(23-10)14-4-2-3-7-21-14)22-13-6-5-11(17(18,19)20)9-12(13)16(25)26/h2-9,22H,1H3,(H,25,26)
InChIKeyQZMHBZRXDSUUEO-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.04
Rot. Bonds4

About 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid

2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid (PubChem CID 22320171) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
PubChem CID22320171
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2C(=O)O)n(-c2ccccn2)n1
InChIInChI=1S/C17H13F3N4O2/c1-10-8-15(24(23-10)14-4-2-3-7-21-14)22-13-6-5-11(17(18,19)20)9-12(13)16(25)26/h2-9,22H,1H3,(H,25,26)
InChIKeyQZMHBZRXDSUUEO-UHFFFAOYSA-N
XLogP4.04
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44631910
CID 44631910
CID 23647254
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CID 23647255
CID 23647255
CID 23647256
CID 23647256
CID 23647258
CID 23647258
CID 23647260
CID 23647260
CID 23647261
CID 23647261
CID 23647264
CID 23647264
CID 70702147
CID 70702147
CID 157010569
CID 157010569
CID 139434659
CID 139434659
CID 46175736
CID 46175736

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid (CID 22320171) is 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid is Cc1cc(Nc2ccc(C(F)(F)F)cc2C(=O)O)n(-c2ccccn2)n1.
What is the InChIKey of 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is QZMHBZRXDSUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-10-8-15(24(23-10)14-4-2-3-7-21-14)22-13-6-5-11(17(18,19)20)9-12(13)16(25)26/h2-9,22H,1H3,(H,25,26).
What are the key properties of 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid?
2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 362.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 22320171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).