N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C14H16BrN3O — CID 61057739

IUPACN-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C14H16BrN3O/c1-10-8-13(18(3)16-10)14(19)17(2)9-11-4-6-12(15)7-5-11/h4-8H,9H2,1-3H3
InChIKeyDVHCGDFFNTXUGW-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.76
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 61057739) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID61057739
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C14H16BrN3O/c1-10-8-13(18(3)16-10)14(19)17(2)9-11-4-6-12(15)7-5-11/h4-8H,9H2,1-3H3
InChIKeyDVHCGDFFNTXUGW-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415884
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126091
N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 115759708
4-bromo-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43641304

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 61057739) is N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)n(C)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is DVHCGDFFNTXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-8-13(18(3)16-10)14(19)17(2)9-11-4-6-12(15)7-5-11/h4-8H,9H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 61057739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).