4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C15H20N4O — CID 66125184

IUPAC4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCc1ccccc1CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C15H20N4O/c1-4-11-7-5-6-8-12(11)9-17-15(20)14-13(16)10(2)18-19(14)3/h5-8H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyWFHOJKZTSBPSKL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66125184) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66125184
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCc1ccccc1CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C15H20N4O/c1-4-11-7-5-6-8-12(11)9-17-15(20)14-13(16)10(2)18-19(14)3/h5-8H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyWFHOJKZTSBPSKL-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123415
4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 66124755
4-amino-N-[2-(2-methoxyethyl)phenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 102903117
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 66123978
4-amino-N-[(4-bromothiophen-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123050
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 114940346
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 105057664
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 66125184) is 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is CCc1ccccc1CNC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is WFHOJKZTSBPSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-11-7-5-6-8-12(11)9-17-15(20)14-13(16)10(2)18-19(14)3/h5-8H,4,9,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).