3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide

C21H25F2N3O2 — CID 90830861

IUPAC3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide
SMILESCC(C)C1(C)C2CCC1(O)c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12
InChIInChI=1S/C21H25F2N3O2/c1-11(2)20(3)14-8-9-21(20,28)16-12(14)6-5-7-15(16)24-19(27)13-10-26(4)25-17(13)18(22)23/h5-7,10-11,14,18,28H,8-9H2,1-4H3,(H,24,27)
InChIKeyKPFRCMWORKNJDP-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.35
Rot. Bonds4

About 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide (PubChem CID 90830861) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide
PubChem CID90830861
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide
SMILESCC(C)C1(C)C2CCC1(O)c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12
InChIInChI=1S/C21H25F2N3O2/c1-11(2)20(3)14-8-9-21(20,28)16-12(14)6-5-7-15(16)24-19(27)13-10-26(4)25-17(13)18(22)23/h5-7,10-11,14,18,28H,8-9H2,1-4H3,(H,24,27)
InChIKeyKPFRCMWORKNJDP-UHFFFAOYSA-N
XLogP4.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-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-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide (CID 90830861) is 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide is CC(C)C1(C)C2CCC1(O)c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12.
What is the InChIKey of 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is KPFRCMWORKNJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-11(2)20(3)14-8-9-21(20,28)16-12(14)6-5-7-15(16)24-19(27)13-10-26(4)25-17(13)18(22)23/h5-7,10-11,14,18,28H,8-9H2,1-4H3,(H,24,27).
What are the key properties of 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(1-hydroxy-11-methyl-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90830861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).