N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide

C17H19BrClN3O — CID 19460310

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN3O/c1-3-22-16(15(18)9-20-22)10-21(2)17(23)14-8-13(14)11-4-6-12(19)7-5-11/h4-7,9,13-14H,3,8,10H2,1-2H3
InChIKeyBXVRTJFVXVOMSH-UHFFFAOYSA-N
MW396.72 g/mol
LogP4.08
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 19460310) has the molecular formula C17H19BrClN3O and a molecular weight of 396.72 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID19460310
Molecular FormulaC17H19BrClN3O
Molecular Weight396.72 g/mol
Exact Mass395.04
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN3O/c1-3-22-16(15(18)9-20-22)10-21(2)17(23)14-8-13(14)11-4-6-12(19)7-5-11/h4-7,9,13-14H,3,8,10H2,1-2H3
InChIKeyBXVRTJFVXVOMSH-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.72
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19458449
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19450102
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 19323161
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443817
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide
CID 19464702
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 111695134
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
cis-(1S,2R)-N-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 124778922

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide (CID 19460310) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is BXVRTJFVXVOMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN3O/c1-3-22-16(15(18)9-20-22)10-21(2)17(23)14-8-13(14)11-4-6-12(19)7-5-11/h4-7,9,13-14H,3,8,10H2,1-2H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 396.72 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 19460310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).