5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide

C13H16N4O2 — CID 61418056

IUPAC5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C13H16N4O2/c1-17(13(18)11-7-15-16-12(11)14)8-9-4-3-5-10(6-9)19-2/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyAEMRNZGKEMGFOE-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.27
Rot. Bonds4

About 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide

5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 61418056) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID61418056
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C13H16N4O2/c1-17(13(18)11-7-15-16-12(11)14)8-9-4-3-5-10(6-9)19-2/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyAEMRNZGKEMGFOE-UHFFFAOYSA-N
XLogP1.27
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
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
(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
CID 117213662
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide (CID 61418056) is 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide is COc1cccc(CN(C)C(=O)c2cn[nH]c2N)c1.
What is the InChIKey of 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is AEMRNZGKEMGFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(13(18)11-7-15-16-12(11)14)8-9-4-3-5-10(6-9)19-2/h3-7H,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61418056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).