N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide

C17H15ClF5N3O — CID 175935253

IUPACN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)F)c1C(=O)N(Cc1cc(Cl)ccc1C(F)(F)F)C1CC1
InChIInChI=1S/C17H15ClF5N3O/c1-8-13(14(15(19)20)25-24-8)16(27)26(11-3-4-11)7-9-6-10(18)2-5-12(9)17(21,22)23/h2,5-6,11,15H,3-4,7H2,1H3,(H,24,25)
InChIKeyOUCQRVVYPNAYOC-UHFFFAOYSA-N
MW407.77 g/mol
LogP5.13
Rot. Bonds5

About N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide

N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 175935253) has the molecular formula C17H15ClF5N3O and a molecular weight of 407.77 g/mol. Its IUPAC name is N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID175935253
Molecular FormulaC17H15ClF5N3O
Molecular Weight407.77 g/mol
Exact Mass407.08
IUPAC NameN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)F)c1C(=O)N(Cc1cc(Cl)ccc1C(F)(F)F)C1CC1
InChIInChI=1S/C17H15ClF5N3O/c1-8-13(14(15(19)20)25-24-8)16(27)26(11-3-4-11)7-9-6-10(18)2-5-12(9)17(21,22)23/h2,5-6,11,15H,3-4,7H2,1H3,(H,24,25)
InChIKeyOUCQRVVYPNAYOC-UHFFFAOYSA-N
XLogP5.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.77
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 175935253) is N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C(F)F)c1C(=O)N(Cc1cc(Cl)ccc1C(F)(F)F)C1CC1.
What is the InChIKey of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OUCQRVVYPNAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF5N3O/c1-8-13(14(15(19)20)25-24-8)16(27)26(11-3-4-11)7-9-6-10(18)2-5-12(9)17(21,22)23/h2,5-6,11,15H,3-4,7H2,1H3,(H,24,25).
What are the key properties of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 407.77 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175935253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).