4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C14H18N4O — CID 55161300

IUPAC4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2[nH]ncc2N)c(C)c1
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(10(2)6-9)8-18(3)14(19)13-12(15)7-16-17-13/h4-7H,8,15H2,1-3H3,(H,16,17)
InChIKeyZGMLVQSELJOERR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.88
Rot. Bonds3

About 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 55161300) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID55161300
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2[nH]ncc2N)c(C)c1
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(10(2)6-9)8-18(3)14(19)13-12(15)7-16-17-13/h4-7H,8,15H2,1-3H3,(H,16,17)
InChIKeyZGMLVQSELJOERR-UHFFFAOYSA-N
XLogP1.88
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55179183
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
CID 63103255
4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124561
2-N-[(2,4-dimethylphenyl)methyl]-2-N,3-dimethyl-4-(2,3,5-trimethylphenyl)sulfonyl-1H-pyrrole-2,5-dicarboxamide
CID 173480998
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113670

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 55161300) is 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is Cc1ccc(CN(C)C(=O)c2[nH]ncc2N)c(C)c1.
What is the InChIKey of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZGMLVQSELJOERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-5-11(10(2)6-9)8-18(3)14(19)13-12(15)7-16-17-13/h4-7H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55161300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).