2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C19H22F3N3O — CID 86929991

IUPAC2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O/c1-11-15(12(2)25(3)24-11)8-9-23-18(26)17-10-16(17)13-4-6-14(7-5-13)19(20,21)22/h4-7,16-17H,8-10H2,1-3H3,(H,23,26)
InChIKeyMEZUCUDMMOITAF-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 86929991) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID86929991
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O/c1-11-15(12(2)25(3)24-11)8-9-23-18(26)17-10-16(17)13-4-6-14(7-5-13)19(20,21)22/h4-7,16-17H,8-10H2,1-3H3,(H,23,26)
InChIKeyMEZUCUDMMOITAF-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 86929991) is 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is MEZUCUDMMOITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-11-15(12(2)25(3)24-11)8-9-23-18(26)17-10-16(17)13-4-6-14(7-5-13)19(20,21)22/h4-7,16-17H,8-10H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86929991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).