3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C12H13BrN4O2 — CID 82859958

IUPAC3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2c(N)n[nH]c2C)c1
InChIInChI=1S/C12H13BrN4O2/c1-6-10(11(14)17-16-6)12(18)15-8-3-7(13)4-9(5-8)19-2/h3-5H,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyKEXCFWFMQRFIHJ-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.32
Rot. Bonds3

About 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 82859958) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID82859958
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2c(N)n[nH]c2C)c1
InChIInChI=1S/C12H13BrN4O2/c1-6-10(11(14)17-16-6)12(18)15-8-3-7(13)4-9(5-8)19-2/h3-5H,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyKEXCFWFMQRFIHJ-UHFFFAOYSA-N
XLogP2.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082085
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
CID 82860621
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 82868079
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 82859958) is 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is COc1cc(Br)cc(NC(=O)c2c(N)n[nH]c2C)c1.
What is the InChIKey of 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KEXCFWFMQRFIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-6-10(11(14)17-16-6)12(18)15-8-3-7(13)4-9(5-8)19-2/h3-5H,1-2H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 82859958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).