N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

C15H19BrN4O — CID 22196261

IUPACN-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-11-12(9-20(3)18-11)8-19(2)10-15(21)17-14-6-4-13(16)5-7-14/h4-7,9H,8,10H2,1-3H3,(H,17,21)
InChIKeyMHTIXBGOKSILPR-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.56
Rot. Bonds5

About N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22196261) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22196261
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-11-12(9-20(3)18-11)8-19(2)10-15(21)17-14-6-4-13(16)5-7-14/h4-7,9H,8,10H2,1-3H3,(H,17,21)
InChIKeyMHTIXBGOKSILPR-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 9426910
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 9508334
N-(2-bromophenyl)-2-(5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl)acetamide
CID 16195572
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 831954
N-(2,4-dibromophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1009261
N-(2-bromo-4-methylphenyl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1224522
N-(4-bromophenyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 1225284
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
2-(4-Bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4777062
N-(2-bromophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 5309546
N-(4-bromophenyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1lambda,2,6-thiadiazine-3-carboxamide
CID 92417512
1-[(4-bromophenyl)carbamoylamino]-N-(1,3-dimethylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 162663817

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22196261) is N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is Cc1nn(C)cc1CN(C)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is MHTIXBGOKSILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11-12(9-20(3)18-11)8-19(2)10-15(21)17-14-6-4-13(16)5-7-14/h4-7,9H,8,10H2,1-3H3,(H,17,21).
What are the key properties of N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 351.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22196261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).