N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide

C16H20BrN3O — CID 66120211

IUPACN-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)n(CC)n1
InChIInChI=1S/C16H20BrN3O/c1-4-14-10-15(20(5-2)18-14)16(21)19(3)11-12-6-8-13(17)9-7-12/h6-10H,4-5,11H2,1-3H3
InChIKeyZMRPIDHKDFLUIU-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.50
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide

N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide (PubChem CID 66120211) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
PubChem CID66120211
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)n(CC)n1
InChIInChI=1S/C16H20BrN3O/c1-4-14-10-15(20(5-2)18-14)16(21)19(3)11-12-6-8-13(17)9-7-12/h6-10H,4-5,11H2,1-3H3
InChIKeyZMRPIDHKDFLUIU-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415884
N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66120831
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide (CID 66120211) is N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)n(CC)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The InChIKey is ZMRPIDHKDFLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-14-10-15(20(5-2)18-14)16(21)19(3)11-12-6-8-13(17)9-7-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide?
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).