2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide

C17H13F3N4O — CID 68958764

IUPAC2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(Nc2ccn[nH]2)c1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-8-12(16(21)25)15(10-4-2-1-3-5-10)13(9-11)23-14-6-7-22-24-14/h1-9H,(H2,21,25)(H2,22,23,24)
InChIKeyMRXNYHBBZJWPLA-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.94
Rot. Bonds4

About 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide

2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide (PubChem CID 68958764) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide
PubChem CID68958764
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(Nc2ccn[nH]2)c1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-8-12(16(21)25)15(10-4-2-1-3-5-10)13(9-11)23-14-6-7-22-24-14/h1-9H,(H2,21,25)(H2,22,23,24)
InChIKeyMRXNYHBBZJWPLA-UHFFFAOYSA-N
XLogP3.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide (CID 68958764) is 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(Nc2ccn[nH]2)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide?
The InChIKey is MRXNYHBBZJWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)11-8-12(16(21)25)15(10-4-2-1-3-5-10)13(9-11)23-14-6-7-22-24-14/h1-9H,(H2,21,25)(H2,22,23,24).
What are the key properties of 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide?
2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide has a molecular weight of 346.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1H-pyrazol-5-ylamino)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 68958764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).