N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide

C19H13F6N3O2 — CID 10181022

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(CO)cc1
InChIInChI=1S/C19H13F6N3O2/c20-18(21,22)15-9-16(19(23,24)25)28(27-15)14-7-5-13(6-8-14)26-17(30)12-3-1-11(10-29)2-4-12/h1-9,29H,10H2,(H,26,30)
InChIKeyDCOLKEGCIKZRKA-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.65
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide (PubChem CID 10181022) has the molecular formula C19H13F6N3O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide
PubChem CID10181022
Molecular FormulaC19H13F6N3O2
Molecular Weight429.32 g/mol
Exact Mass429.09
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(CO)cc1
InChIInChI=1S/C19H13F6N3O2/c20-18(21,22)15-9-16(19(23,24)25)28(27-15)14-7-5-13(6-8-14)26-17(30)12-3-1-11(10-29)2-4-12/h1-9,29H,10H2,(H,26,30)
InChIKeyDCOLKEGCIKZRKA-UHFFFAOYSA-N
XLogP4.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2,3-difluorobenzamide
CID 10503003
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2,5-difluorobenzamide
CID 10622741
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2,3,5-trifluorobenzamide
CID 10718489
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide
CID 51352543
2-[3-fluoro-4-(hydroxymethyl)phenyl]-N-[[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
CID 70816274
2-({4-[5-(trifluoromethyl)-1H-pyrazol-1-yl]anilino}carbonyl)benzoic acid
CID 2795596
2-({4-[3,5-di(trifluoromethyl)-1H-pyrazol-1-yl]anilino}carbonyl)benzoic acid
CID 2740833
4-[3-trifluoromethyl-5-(4-trifluoromethylphenyl)-1H-pyrazol-1-yl]-benzoic acid
CID 44427622
3-[(5-Methyl-1-phenylpyrazole-3-carbonyl)amino]benzoic acid
CID 164614305
4-[3-Phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]benzoic acid
CID 90894596
3-(4-fluorophenyl)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71796894

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide (CID 10181022) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(CO)cc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide?
The InChIKey is DCOLKEGCIKZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O2/c20-18(21,22)15-9-16(19(23,24)25)28(27-15)14-7-5-13(6-8-14)26-17(30)12-3-1-11(10-29)2-4-12/h1-9,29H,10H2,(H,26,30).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide has a molecular weight of 429.32 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 10181022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).