N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide

C15H18BrN3O — CID 103893389

IUPACN-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-14-13(10-19(3)17-14)15(20)18(2)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyQJRROFXHDCRAME-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.02
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide

N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 103893389) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
PubChem CID103893389
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-14-13(10-19(3)17-14)15(20)18(2)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyQJRROFXHDCRAME-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971
3-ethyl-N-(1H-imidazol-2-ylmethyl)-N,1-dimethylpyrazole-4-carboxamide
CID 113347479
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
CID 75399076
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 103894190

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide (CID 103893389) is N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is QJRROFXHDCRAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-14-13(10-19(3)17-14)15(20)18(2)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103893389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).