N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide

C14H17BrN4O — CID 103850935

IUPACN-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1c(CNCC(=O)Nc2ccccc2Br)cnn1C
InChIInChI=1S/C14H17BrN4O/c1-10-11(8-17-19(10)2)7-16-9-14(20)18-13-6-4-3-5-12(13)15/h3-6,8,16H,7,9H2,1-2H3,(H,18,20)
InChIKeyKUTPOLGTYJTDRM-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.22
Rot. Bonds5

About N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide

N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 103850935) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID103850935
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1c(CNCC(=O)Nc2ccccc2Br)cnn1C
InChIInChI=1S/C14H17BrN4O/c1-10-11(8-17-19(10)2)7-16-9-14(20)18-13-6-4-3-5-12(13)15/h3-6,8,16H,7,9H2,1-2H3,(H,18,20)
InChIKeyKUTPOLGTYJTDRM-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide (CID 103850935) is N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide is Cc1c(CNCC(=O)Nc2ccccc2Br)cnn1C.
What is the InChIKey of N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is KUTPOLGTYJTDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10-11(8-17-19(10)2)7-16-9-14(20)18-13-6-4-3-5-12(13)15/h3-6,8,16H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 103850935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).