N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide

C11H11F2N3O — CID 134168142

IUPACN-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide
SMILESC=C=Cn1ncc(C(=O)NC2CC2)c1C(F)F
InChIInChI=1S/C11H11F2N3O/c1-2-5-16-9(10(12)13)8(6-14-16)11(17)15-7-3-4-7/h5-7,10H,1,3-4H2,(H,15,17)
InChIKeyOLQARJILNJQALY-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.97
Rot. Bonds4

About N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide

N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide (PubChem CID 134168142) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide
PubChem CID134168142
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC NameN-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide
SMILESC=C=Cn1ncc(C(=O)NC2CC2)c1C(F)F
InChIInChI=1S/C11H11F2N3O/c1-2-5-16-9(10(12)13)8(6-14-16)11(17)15-7-3-4-7/h5-7,10H,1,3-4H2,(H,15,17)
InChIKeyOLQARJILNJQALY-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide (CID 134168142) is N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide is C=C=Cn1ncc(C(=O)NC2CC2)c1C(F)F.
What is the InChIKey of N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide?
The InChIKey is OLQARJILNJQALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-2-5-16-9(10(12)13)8(6-14-16)11(17)15-7-3-4-7/h5-7,10H,1,3-4H2,(H,15,17).
What are the key properties of N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide?
N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide has a molecular weight of 239.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide is sourced from PubChem (CID 134168142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).