N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide

C13H10F5N3O2 — CID 138989815

IUPACN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F5N3O2/c1-5-9(10(11(14)15)21-20-5)19-12(23)6-2-7(13(16,17)18)4-8(22)3-6/h2-4,11,22H,1H3,(H,19,23)(H,20,21)
InChIKeyFBWVJBZSTZLYOR-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.63
Rot. Bonds3

About N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide (PubChem CID 138989815) has the molecular formula C13H10F5N3O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide
PubChem CID138989815
Molecular FormulaC13H10F5N3O2
Molecular Weight335.23 g/mol
Exact Mass335.07
IUPAC NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F5N3O2/c1-5-9(10(11(14)15)21-20-5)19-12(23)6-2-7(13(16,17)18)4-8(22)3-6/h2-4,11,22H,1H3,(H,19,23)(H,20,21)
InChIKeyFBWVJBZSTZLYOR-UHFFFAOYSA-N
XLogP3.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 894645
CID 894645
CID 42686722
CID 42686722
CID 10201909
CID 10201909
CID 156722389
CID 156722389
CID 156722572
CID 156722572
CID 175701694
CID 175701694
CID 175701706
CID 175701706
CID 19508161
CID 19508161
CID 42686263
CID 42686263
CID 42686323
CID 42686323
CID 42686502
CID 42686502
CID 42686577
CID 42686577

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide (CID 138989815) is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide is Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide?
The InChIKey is FBWVJBZSTZLYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3O2/c1-5-9(10(11(14)15)21-20-5)19-12(23)6-2-7(13(16,17)18)4-8(22)3-6/h2-4,11,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide?
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide has a molecular weight of 335.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-3-hydroxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 138989815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).