1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H21F3N4O2 — CID 10177926

IUPAC1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)Nc1c(C)cccc1C(=O)NC(C)C
InChIInChI=1S/C18H21F3N4O2/c1-5-25-13(9-14(24-25)18(19,20)21)17(27)23-15-11(4)7-6-8-12(15)16(26)22-10(2)3/h6-10H,5H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyNSDRVEXNRGFQES-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.62
Rot. Bonds5

About 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 10177926) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID10177926
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)Nc1c(C)cccc1C(=O)NC(C)C
InChIInChI=1S/C18H21F3N4O2/c1-5-25-13(9-14(24-25)18(19,20)21)17(27)23-15-11(4)7-6-8-12(15)16(26)22-10(2)3/h6-10H,5H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyNSDRVEXNRGFQES-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 10177926) is 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1nc(C(F)(F)F)cc1C(=O)Nc1c(C)cccc1C(=O)NC(C)C.
What is the InChIKey of 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NSDRVEXNRGFQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-5-25-13(9-14(24-25)18(19,20)21)17(27)23-15-11(4)7-6-8-12(15)16(26)22-10(2)3/h6-10H,5H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 10177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).