N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C11H10F3N3O — CID 134168145

IUPACN-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC=C=Cn1ncc(C(=O)NC2CC2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-2-5-17-9(11(12,13)14)8(6-15-17)10(18)16-7-3-4-7/h5-7H,1,3-4H2,(H,16,18)
InChIKeyNCPKRZRJDRCUAC-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.05
Rot. Bonds3

About N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134168145) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134168145
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC NameN-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC=C=Cn1ncc(C(=O)NC2CC2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-2-5-17-9(11(12,13)14)8(6-15-17)10(18)16-7-3-4-7/h5-7H,1,3-4H2,(H,16,18)
InChIKeyNCPKRZRJDRCUAC-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134168145) is N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide is C=C=Cn1ncc(C(=O)NC2CC2)c1C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NCPKRZRJDRCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-5-17-9(11(12,13)14)8(6-15-17)10(18)16-7-3-4-7/h5-7H,1,3-4H2,(H,16,18).
What are the key properties of N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 257.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).