1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide

C20H16F3N3O — CID 134596214

IUPAC1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-7-4-8-16(13-15)26-12-9-17(25-26)24-18(27)19(10-11-19)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,24,25,27)
InChIKeyFTWURTNYOHMBQW-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.56
Rot. Bonds4

About 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide

1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596214) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596214
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-7-4-8-16(13-15)26-12-9-17(25-26)24-18(27)19(10-11-19)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,24,25,27)
InChIKeyFTWURTNYOHMBQW-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 118560618
CID 118560618
CID 118560409
CID 118560409
CID 118560709
CID 118560709
CID 46945384
CID 46945384
CID 69692723
CID 69692723
CID 110472142
CID 110472142
CID 118560158
CID 118560158
CID 118560191
CID 118560191
CID 118560322
CID 118560322
CID 118560356
CID 118560356
CID 118560466
CID 118560466
CID 118560592
CID 118560592

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596214) is 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is FTWURTNYOHMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)15-7-4-8-16(13-15)26-12-9-17(25-26)24-18(27)19(10-11-19)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,24,25,27).
What are the key properties of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).