N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

C13H16N4O2 — CID 28776761

IUPACN-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(C)c2C)c(N)c1
InChIInChI=1S/C13H16N4O2/c1-8-10(7-15-17(8)2)13(18)16-12-5-4-9(19-3)6-11(12)14/h4-7H,14H2,1-3H3,(H,16,18)
InChIKeyRWQGDSFOCGPTCK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 28776761) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID28776761
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(C)c2C)c(N)c1
InChIInChI=1S/C13H16N4O2/c1-8-10(7-15-17(8)2)13(18)16-12-5-4-9(19-3)6-11(12)14/h4-7H,14H2,1-3H3,(H,16,18)
InChIKeyRWQGDSFOCGPTCK-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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 28776761) is N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(C)c2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is RWQGDSFOCGPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-10(7-15-17(8)2)13(18)16-12-5-4-9(19-3)6-11(12)14/h4-7H,14H2,1-3H3,(H,16,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-amino-4-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-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28776761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).