N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C15H16FN3O — CID 47182216

IUPACN-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C15H16FN3O/c1-10-9-13(19(2)18-10)17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyIXSUQYFTQYEFFN-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.54
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 47182216) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID47182216
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C15H16FN3O/c1-10-9-13(19(2)18-10)17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyIXSUQYFTQYEFFN-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 47182216) is N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is IXSUQYFTQYEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-9-13(19(2)18-10)17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47182216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).