1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide

C17H18F3N3O — CID 95281399

IUPAC1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O/c1-9-15(10(2)23(3)22-9)16(24)21-14-8-12(14)11-6-4-5-7-13(11)17(18,19)20/h4-7,12,14H,8H2,1-3H3,(H,21,24)/t12-,14-/m1/s1
InChIKeyFMJIGFLZSDNOCD-TZMCWYRMSA-N
MW337.35 g/mol
LogP3.34
Rot. Bonds3

About 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide (PubChem CID 95281399) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
PubChem CID95281399
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O/c1-9-15(10(2)23(3)22-9)16(24)21-14-8-12(14)11-6-4-5-7-13(11)17(18,19)20/h4-7,12,14H,8H2,1-3H3,(H,21,24)/t12-,14-/m1/s1
InChIKeyFMJIGFLZSDNOCD-TZMCWYRMSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide (CID 95281399) is 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide?
The InChIKey is FMJIGFLZSDNOCD-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-9-15(10(2)23(3)22-9)16(24)21-14-8-12(14)11-6-4-5-7-13(11)17(18,19)20/h4-7,12,14H,8H2,1-3H3,(H,21,24)/t12-,14-/m1/s1.
What are the key properties of 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).