3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide

C18H21F2N3O — CID 166930749

IUPAC3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide
SMILESCC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)C1=C2C=CCC1
InChIInChI=1S/C18H21F2N3O/c1-10-11-7-8-18(10,14-6-4-3-5-12(11)14)21-17(24)13-9-23(2)22-15(13)16(19)20/h3,5,9-11,16H,4,6-8H2,1-2H3,(H,21,24)
InChIKeyJJWREGAGEAYNFF-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.53
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide (PubChem CID 166930749) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide
PubChem CID166930749
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide
SMILESCC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)C1=C2C=CCC1
InChIInChI=1S/C18H21F2N3O/c1-10-11-7-8-18(10,14-6-4-3-5-12(11)14)21-17(24)13-9-23(2)22-15(13)16(19)20/h3,5,9-11,16H,4,6-8H2,1-2H3,(H,21,24)
InChIKeyJJWREGAGEAYNFF-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide
CID 163942841
methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 146646257
[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl] 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 166930836
3-(difluoromethyl)-N-(3-methoxy-11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)-1-methylpyrazole-4-carboxamide
CID 146645575
3-(difluoromethyl)-N-[(1S)-11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide
CID 162424065
3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 163640943
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
carbon dioxide;5-chloro-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[11-(hydroxymethyl)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide;methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 163896309
3-(difluoromethyl)-1-methyl-N-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide
CID 163549892
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide (CID 166930749) is 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide is CC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)C1=C2C=CCC1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?
The InChIKey is JJWREGAGEAYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-10-11-7-8-18(10,14-6-4-3-5-12(11)14)21-17(24)13-9-23(2)22-15(13)16(19)20/h3,5,9-11,16H,4,6-8H2,1-2H3,(H,21,24).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166930749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).