N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H18F3N5O — CID 19477541

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(C(F)(F)F)nn2C)c(C)n1
InChIInChI=1S/C14H18F3N5O/c1-5-22-7-10(9(3)19-22)8(2)18-13(23)11-6-12(14(15,16)17)20-21(11)4/h6-8H,5H2,1-4H3,(H,18,23)
InChIKeyUHBQZVSFRSIKJN-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19477541) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19477541
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(C(F)(F)F)nn2C)c(C)n1
InChIInChI=1S/C14H18F3N5O/c1-5-22-7-10(9(3)19-22)8(2)18-13(23)11-6-12(14(15,16)17)20-21(11)4/h6-8H,5H2,1-4H3,(H,18,23)
InChIKeyUHBQZVSFRSIKJN-UHFFFAOYSA-N
XLogP2.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19477541) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1cc(C(C)NC(=O)c2cc(C(F)(F)F)nn2C)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UHBQZVSFRSIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-5-22-7-10(9(3)19-22)8(2)18-13(23)11-6-12(14(15,16)17)20-21(11)4/h6-8H,5H2,1-4H3,(H,18,23).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19477541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).