5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide

C18H20ClF2N3O — CID 118037941

IUPAC5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)Nc2cccc3c2CCC(C)(C)C3)c1Cl
InChIInChI=1S/C18H20ClF2N3O/c1-18(2)8-7-11-10(9-18)5-4-6-12(11)22-17(25)13-14(16(20)21)23-24(3)15(13)19/h4-6,16H,7-9H2,1-3H3,(H,22,25)
InChIKeyRQGBMIISAMSIMB-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.78
Rot. Bonds3

About 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide

5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 118037941) has the molecular formula C18H20ClF2N3O and a molecular weight of 367.83 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide
PubChem CID118037941
Molecular FormulaC18H20ClF2N3O
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)Nc2cccc3c2CCC(C)(C)C3)c1Cl
InChIInChI=1S/C18H20ClF2N3O/c1-18(2)8-7-11-10(9-18)5-4-6-12(11)22-17(25)13-14(16(20)21)23-24(3)15(13)19/h4-6,16H,7-9H2,1-3H3,(H,22,25)
InChIKeyRQGBMIISAMSIMB-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 175414558
5-chloro-N-[2-[3,5-difluoro-4-[(E)-methoxyiminomethyl]phenyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 166706798
4-[1-[[5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175202761
N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 90239512
5-chloro-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87474784
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
ethyl 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 56926831
5-chloro-N-cyclopropyl-3-(difluoromethyl)-N-[[5-fluoro-2-(1-methylcyclopropyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 118117867
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde;5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;methane
CID 161150271

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide (CID 118037941) is 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)Nc2cccc3c2CCC(C)(C)C3)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RQGBMIISAMSIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N3O/c1-18(2)8-7-11-10(9-18)5-4-6-12(11)22-17(25)13-14(16(20)21)23-24(3)15(13)19/h4-6,16H,7-9H2,1-3H3,(H,22,25).
What are the key properties of 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide?
5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 367.83 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 118037941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).