[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium

C18H16Cl2F2N3O+ — CID 147725973

IUPAC[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium
SMILESCn1cc(C(=O)Nc2cccc3c2C2CCC3/C2=C(\Cl)[ClH+])c(C(F)F)n1
InChIInChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17,19H,5-6H2,1H3/p+1/b16-14+
InChIKeyGXMMRDOEPLVMAV-JQIJEIRASA-O
MW399.25 g/mol
LogP4.32
Rot. Bonds3

About [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium

[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium (PubChem CID 147725973) has the molecular formula C18H16Cl2F2N3O+ and a molecular weight of 399.25 g/mol. Its IUPAC name is [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium.

Molecular Properties

Compound Name[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium
PubChem CID147725973
Molecular FormulaC18H16Cl2F2N3O+
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC Name[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium
SMILESCn1cc(C(=O)Nc2cccc3c2C2CCC3/C2=C(\Cl)[ClH+])c(C(F)F)n1
InChIInChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17,19H,5-6H2,1H3/p+1/b16-14+
InChIKeyGXMMRDOEPLVMAV-JQIJEIRASA-O
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium with MolForge

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Related Compounds

N-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 51347655
3-(difluoromethyl)-1-methyl-N-[(1R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
CID 71206075
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11493659
N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 141354776
[[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]amino]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol
CID 123576786
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
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
3-(difluoromethyl)-1-methyl-N-(3-methyl-2-propan-2-yl-8-tricyclo[5.4.0.02,6]undeca-1(7),8,10-trienyl)pyrazole-4-carboxamide
CID 163486298
N-(8-butyl-7-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 143769363
3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
CID 150122085
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541

Frequently Asked Questions

What is the IUPAC name of [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium?
The IUPAC name of [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium (CID 147725973) is [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium.
What is the SMILES notation for [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium?
The canonical SMILES for [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium is Cn1cc(C(=O)Nc2cccc3c2C2CCC3/C2=C(\Cl)[ClH+])c(C(F)F)n1.
What is the InChIKey of [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium?
The InChIKey is GXMMRDOEPLVMAV-JQIJEIRASA-O. The full InChI is InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17,19H,5-6H2,1H3/p+1/b16-14+.
What are the key properties of [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium?
[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium has a molecular weight of 399.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium is sourced from PubChem (CID 147725973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).