4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide

C14H17BrN4O2 — CID 82859171

IUPAC4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C14H17BrN4O2/c1-4-19-13(12(16)8(2)18-19)14(20)17-10-5-9(15)6-11(7-10)21-3/h5-7H,4,16H2,1-3H3,(H,17,20)
InChIKeyXDNXXPCBJCNXKG-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 82859171) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID82859171
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C14H17BrN4O2/c1-4-19-13(12(16)8(2)18-19)14(20)17-10-5-9(15)6-11(7-10)21-3/h5-7H,4,16H2,1-3H3,(H,17,20)
InChIKeyXDNXXPCBJCNXKG-UHFFFAOYSA-N
XLogP2.82
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123476
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123080
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
4-amino-N-(2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123274
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 82859958
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
CID 66123504
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide (CID 82859171) is 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is XDNXXPCBJCNXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-4-19-13(12(16)8(2)18-19)14(20)17-10-5-9(15)6-11(7-10)21-3/h5-7H,4,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 82859171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).