N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide

C16H17BrClN3O — CID 19333183

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)C2CC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17BrClN3O/c1-2-21-9-14(17)15(20-21)8-19-16(22)13-7-12(13)10-3-5-11(18)6-4-10/h3-6,9,12-13H,2,7-8H2,1H3,(H,19,22)
InChIKeyJWOYOJWEUGGWCW-UHFFFAOYSA-N
MW382.69 g/mol
LogP3.74
Rot. Bonds5

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

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 19333183) has the molecular formula C16H17BrClN3O and a molecular weight of 382.69 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID19333183
Molecular FormulaC16H17BrClN3O
Molecular Weight382.69 g/mol
Exact Mass381.02
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)C2CC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17BrClN3O/c1-2-21-9-14(17)15(20-21)8-19-16(22)13-7-12(13)10-3-5-11(18)6-4-10/h3-6,9,12-13H,2,7-8H2,1H3,(H,19,22)
InChIKeyJWOYOJWEUGGWCW-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19331083
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19284266
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19450102
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19333314
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
trans-(1S,2S)-2-(4-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95595207
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,4-dichlorophenyl)thiourea
CID 19572034
2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,5-dichlorophenyl)thiourea
CID 19572007
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 19333183) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide is CCn1cc(Br)c(CNC(=O)C2CC2c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JWOYOJWEUGGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3O/c1-2-21-9-14(17)15(20-21)8-19-16(22)13-7-12(13)10-3-5-11(18)6-4-10/h3-6,9,12-13H,2,7-8H2,1H3,(H,19,22).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 382.69 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 19333183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).