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

C13H15BrN4O — CID 65353986

IUPAC4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1nn(C)cc1N
InChIInChI=1S/C13H15BrN4O/c1-17(7-9-4-3-5-10(14)6-9)13(19)12-11(15)8-18(2)16-12/h3-6,8H,7,15H2,1-2H3
InChIKeyFLRHYEFVWDJDTR-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.04
Rot. Bonds3

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

4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 65353986) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID65353986
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1nn(C)cc1N
InChIInChI=1S/C13H15BrN4O/c1-17(7-9-4-3-5-10(14)6-9)13(19)12-11(15)8-18(2)16-12/h3-6,8H,7,15H2,1-2H3
InChIKeyFLRHYEFVWDJDTR-UHFFFAOYSA-N
XLogP2.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide (CID 65353986) is 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is FLRHYEFVWDJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-17(7-9-4-3-5-10(14)6-9)13(19)12-11(15)8-18(2)16-12/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide?
4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65353986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).