2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide

C19H13F3N4O — CID 168524264

IUPAC2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)17-12-16(26(25-17)15-4-2-1-3-5-15)13-6-8-14(9-7-13)24-18(27)10-11-23/h1-9,12H,10H2,(H,24,27)
InChIKeyLQRGWARDDLWQON-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.41
Rot. Bonds4

About 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide

2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide (PubChem CID 168524264) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
PubChem CID168524264
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)17-12-16(26(25-17)15-4-2-1-3-5-15)13-6-8-14(9-7-13)24-18(27)10-11-23/h1-9,12H,10H2,(H,24,27)
InChIKeyLQRGWARDDLWQON-UHFFFAOYSA-N
XLogP4.41
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
CID 168523626
[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 152770734
3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 56670354
methyl 3-amino-4-cyano-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxylate
CID 168550351
5-(4-methylphenyl)-1-[4-(sulfinoamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 58372565
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168645785
2-cyano-N-(4-naphthalen-2-ylphenyl)acetamide
CID 168520254
N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5295684
(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate
CID 172676023
2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 168521702

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide (CID 168524264) is 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide is N#CCC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
The InChIKey is LQRGWARDDLWQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)17-12-16(26(25-17)15-4-2-1-3-5-15)13-6-8-14(9-7-13)24-18(27)10-11-23/h1-9,12H,10H2,(H,24,27).
What are the key properties of 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide has a molecular weight of 370.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 168524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).