N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C14H18N4O2 — CID 28742291

IUPACN-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2C)c(N)c1
InChIInChI=1S/C14H18N4O2/c1-8-13(9(2)18(3)17-8)14(19)16-12-6-5-10(20-4)7-11(12)15/h5-7H,15H2,1-4H3,(H,16,19)
InChIKeyGDYINBBTXMPMBC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 28742291) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID28742291
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2C)c(N)c1
InChIInChI=1S/C14H18N4O2/c1-8-13(9(2)18(3)17-8)14(19)16-12-6-5-10(20-4)7-11(12)15/h5-7H,15H2,1-4H3,(H,16,19)
InChIKeyGDYINBBTXMPMBC-UHFFFAOYSA-N
XLogP1.88
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
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)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 28742291) is N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(C)c2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is GDYINBBTXMPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-13(9(2)18(3)17-8)14(19)16-12-6-5-10(20-4)7-11(12)15/h5-7H,15H2,1-4H3,(H,16,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.88, 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)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).