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

C14H18N4O2 — CID 115330502

IUPAC5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C14H18N4O2/c1-17(9-10-5-4-6-11(7-10)20-3)14(19)12-8-16-18(2)13(12)15/h4-8H,9,15H2,1-3H3
InChIKeyYNZZGNIVMZXNOB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.28
Rot. Bonds4

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

5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 115330502) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID115330502
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C14H18N4O2/c1-17(9-10-5-4-6-11(7-10)20-3)14(19)12-8-16-18(2)13(12)15/h4-8H,9,15H2,1-3H3
InChIKeyYNZZGNIVMZXNOB-UHFFFAOYSA-N
XLogP1.28
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 115330502) is 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide is COc1cccc(CN(C)C(=O)c2cnn(C)c2N)c1.
What is the InChIKey of 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is YNZZGNIVMZXNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(9-10-5-4-6-11(7-10)20-3)14(19)12-8-16-18(2)13(12)15/h4-8H,9,15H2,1-3H3.
What are the key properties of 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 115330502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).