3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C12H13BrN4O — CID 64523107

IUPAC3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H13BrN4O/c1-17(7-8-4-2-3-5-9(8)13)12(18)10-6-11(14)16-15-10/h2-6H,7H2,1H3,(H3,14,15,16)
InChIKeySKVSCWGLURSWFS-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.03
Rot. Bonds3

About 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 64523107) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID64523107
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H13BrN4O/c1-17(7-8-4-2-3-5-9(8)13)12(18)10-6-11(14)16-15-10/h2-6H,7H2,1H3,(H3,14,15,16)
InChIKeySKVSCWGLURSWFS-UHFFFAOYSA-N
XLogP2.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494
6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62240529
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564229
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
CID 62160440
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 64523107) is 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is SKVSCWGLURSWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-17(7-8-4-2-3-5-9(8)13)12(18)10-6-11(14)16-15-10/h2-6H,7H2,1H3,(H3,14,15,16).
What are the key properties of 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).