N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

C18H24F3N3O — CID 86685673

IUPACN-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NC2CCCCC2C2CC2C2CC2)c1F
InChIInChI=1S/C18H24F3N3O/c1-24-17(21)14(15(23-24)16(19)20)18(25)22-13-5-3-2-4-10(13)12-8-11(12)9-6-7-9/h9-13,16H,2-8H2,1H3,(H,22,25)
InChIKeyZGDJGTGOCZFSBF-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 86685673) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID86685673
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NC2CCCCC2C2CC2C2CC2)c1F
InChIInChI=1S/C18H24F3N3O/c1-24-17(21)14(15(23-24)16(19)20)18(25)22-13-5-3-2-4-10(13)12-8-11(12)9-6-7-9/h9-13,16H,2-8H2,1H3,(H,22,25)
InChIKeyZGDJGTGOCZFSBF-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (CID 86685673) is N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)NC2CCCCC2C2CC2C2CC2)c1F.
What is the InChIKey of N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is ZGDJGTGOCZFSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-24-17(21)14(15(23-24)16(19)20)18(25)22-13-5-3-2-4-10(13)12-8-11(12)9-6-7-9/h9-13,16H,2-8H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylcyclopropyl)cyclohexyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86685673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).