3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide

C19H25F2N3O — CID 90202117

IUPAC3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide
SMILESC=CC1=C(/C(=C\C)NC(=O)c2cn(C)nc2C(F)F)[C@@H](C)CC1(C)C
InChIInChI=1S/C19H25F2N3O/c1-7-13-15(11(3)9-19(13,4)5)14(8-2)22-18(25)12-10-24(6)23-16(12)17(20)21/h7-8,10-11,17H,1,9H2,2-6H3,(H,22,25)/b14-8+/t11-/m0/s1
InChIKeyVVKCXWSRZXTZPX-KYJZABPNSA-N
MW349.43 g/mol
LogP4.54
Rot. Bonds5

About 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide (PubChem CID 90202117) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide
PubChem CID90202117
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide
SMILESC=CC1=C(/C(=C\C)NC(=O)c2cn(C)nc2C(F)F)[C@@H](C)CC1(C)C
InChIInChI=1S/C19H25F2N3O/c1-7-13-15(11(3)9-19(13,4)5)14(8-2)22-18(25)12-10-24(6)23-16(12)17(20)21/h7-8,10-11,17H,1,9H2,2-6H3,(H,22,25)/b14-8+/t11-/m0/s1
InChIKeyVVKCXWSRZXTZPX-KYJZABPNSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide (CID 90202117) is 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide is C=CC1=C(/C(=C\C)NC(=O)c2cn(C)nc2C(F)F)[C@@H](C)CC1(C)C.
What is the InChIKey of 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VVKCXWSRZXTZPX-KYJZABPNSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-7-13-15(11(3)9-19(13,4)5)14(8-2)22-18(25)12-10-24(6)23-16(12)17(20)21/h7-8,10-11,17H,1,9H2,2-6H3,(H,22,25)/b14-8+/t11-/m0/s1.
What are the key properties of 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90202117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).