4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

C14H18N4O2 — CID 66124203

IUPAC4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(N)c(C)nn2C)c(C)c1
InChIInChI=1S/C14H18N4O2/c1-8-7-10(20-4)5-6-11(8)16-14(19)13-12(15)9(2)17-18(13)3/h5-7H,15H2,1-4H3,(H,16,19)
InChIKeyWQFXKRKRAJVPTE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds3

About 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66124203) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66124203
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(N)c(C)nn2C)c(C)c1
InChIInChI=1S/C14H18N4O2/c1-8-7-10(20-4)5-6-11(8)16-14(19)13-12(15)9(2)17-18(13)3/h5-7H,15H2,1-4H3,(H,16,19)
InChIKeyWQFXKRKRAJVPTE-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

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Related Compounds

4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 103410503
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124198
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
4-amino-N-[2-(2-methoxyethyl)phenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 102903117

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66124203) is 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2c(N)c(C)nn2C)c(C)c1.
What is the InChIKey of 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is WQFXKRKRAJVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-7-10(20-4)5-6-11(8)16-14(19)13-12(15)9(2)17-18(13)3/h5-7H,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-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 4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).