N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide

C18H16F3N3O3 — CID 112828913

IUPACN-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)n[nH]2)o1
InChIInChI=1S/C18H16F3N3O3/c1-11-3-8-16(26-11)14-9-15(23-22-14)17(25)24(2)10-12-4-6-13(7-5-12)27-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeySGWCCYSYBZVDDE-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide

N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 112828913) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID112828913
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)n[nH]2)o1
InChIInChI=1S/C18H16F3N3O3/c1-11-3-8-16(26-11)14-9-15(23-22-14)17(25)24(2)10-12-4-6-13(7-5-12)27-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeySGWCCYSYBZVDDE-UHFFFAOYSA-N
XLogP4.15
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 112828913) is N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)n[nH]2)o1.
What is the InChIKey of N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SGWCCYSYBZVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-11-3-8-16(26-11)14-9-15(23-22-14)17(25)24(2)10-12-4-6-13(7-5-12)27-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112828913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).