N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

C13H16N4O2 — CID 61241001

IUPACN-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(C)c2C)ccc1N
InChIInChI=1S/C13H16N4O2/c1-8-10(7-15-17(8)2)13(18)16-9-4-5-11(14)12(6-9)19-3/h4-7H,14H2,1-3H3,(H,16,18)
InChIKeyDMQOPYMJBATRJV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds3

About N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 61241001) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID61241001
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(C)c2C)ccc1N
InChIInChI=1S/C13H16N4O2/c1-8-10(7-15-17(8)2)13(18)16-9-4-5-11(14)12(6-9)19-3/h4-7H,14H2,1-3H3,(H,16,18)
InChIKeyDMQOPYMJBATRJV-UHFFFAOYSA-N
XLogP1.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671325
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 61241001) is N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is COc1cc(NC(=O)c2cnn(C)c2C)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is DMQOPYMJBATRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-10(7-15-17(8)2)13(18)16-9-4-5-11(14)12(6-9)19-3/h4-7H,14H2,1-3H3,(H,16,18).
What are the key properties of N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 61241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).