4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide

C16H22N4O — CID 79756140

IUPAC4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCc2ccccc2C)c1N
InChIInChI=1S/C16H22N4O/c1-4-13-14(17)15(20(3)19-13)16(21)18-10-9-12-8-6-5-7-11(12)2/h5-8H,4,9-10,17H2,1-3H3,(H,18,21)
InChIKeyYJSNOCDFCIJTRA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds5

About 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide (PubChem CID 79756140) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
PubChem CID79756140
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCc2ccccc2C)c1N
InChIInChI=1S/C16H22N4O/c1-4-13-14(17)15(20(3)19-13)16(21)18-10-9-12-8-6-5-7-11(12)2/h5-8H,4,9-10,17H2,1-3H3,(H,18,21)
InChIKeyYJSNOCDFCIJTRA-UHFFFAOYSA-N
XLogP1.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66119082
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106163850
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66125184
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66117385
tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
CID 104932662
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide (CID 79756140) is 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCc2ccccc2C)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide?
The InChIKey is YJSNOCDFCIJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13-14(17)15(20(3)19-13)16(21)18-10-9-12-8-6-5-7-11(12)2/h5-8H,4,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 79756140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).