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

C18H15Cl2F2N3O — CID 70981109

IUPACN-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1C(F)F)c1cccc2c1C1CCC2C1=C(Cl)Cl
InChIInChI=1S/C18H15Cl2F2N3O/c1-25(18(26)11-7-23-24-15(11)17(21)22)12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,24)
InChIKeyYZVLZQZYHGKFSR-UHFFFAOYSA-N
MW398.24 g/mol
LogP5.29
Rot. Bonds3

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

N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 70981109) has the molecular formula C18H15Cl2F2N3O and a molecular weight of 398.24 g/mol. Its IUPAC name is N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID70981109
Molecular FormulaC18H15Cl2F2N3O
Molecular Weight398.24 g/mol
Exact Mass397.06
IUPAC NameN-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1C(F)F)c1cccc2c1C1CCC2C1=C(Cl)Cl
InChIInChI=1S/C18H15Cl2F2N3O/c1-25(18(26)11-7-23-24-15(11)17(21)22)12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,24)
InChIKeyYZVLZQZYHGKFSR-UHFFFAOYSA-N
XLogP5.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.24
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-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

Related Compounds

5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 121331448
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
[[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
5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 67982791
5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 150931172
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 118167493
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 70483864
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea
CID 69429010
N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 63999824
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104276
5-(3-methoxyphenyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-carboxamide
CID 70734926

Frequently Asked Questions

What is the IUPAC name of N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 70981109) is N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1C(F)F)c1cccc2c1C1CCC2C1=C(Cl)Cl.
What is the InChIKey of N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YZVLZQZYHGKFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2N3O/c1-25(18(26)11-7-23-24-15(11)17(21)22)12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,24).
What are the key properties of N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 398.24 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70981109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).