N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide

C17H19Cl2N3O — CID 19450102

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)C2CC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-3-22-9-15(19)16(20-22)10-21(2)17(23)14-8-13(14)11-4-6-12(18)7-5-11/h4-7,9,13-14H,3,8,10H2,1-2H3
InChIKeyTZRIOVMWTKKEHU-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 19450102) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID19450102
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)C2CC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-3-22-9-15(19)16(20-22)10-21(2)17(23)14-8-13(14)11-4-6-12(18)7-5-11/h4-7,9,13-14H,3,8,10H2,1-2H3
InChIKeyTZRIOVMWTKKEHU-UHFFFAOYSA-N
XLogP3.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19460310
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19458449
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19450125
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19450097
3-butyl-1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methylurea
CID 19456266
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19331083
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 111695134
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 86897328
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide (CID 19450102) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide is CCn1cc(Cl)c(CN(C)C(=O)C2CC2c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is TZRIOVMWTKKEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-3-22-9-15(19)16(20-22)10-21(2)17(23)14-8-13(14)11-4-6-12(18)7-5-11/h4-7,9,13-14H,3,8,10H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 19450102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).