4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide

C16H22N4O — CID 65357893

IUPAC4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C16H22N4O/c1-4-19(10-13-9-7-6-8-12(13)3)16(21)15-14(17)11-20(5-2)18-15/h6-9,11H,4-5,10,17H2,1-3H3
InChIKeyLPAUWXYDQREYFM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds5

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

4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 65357893) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID65357893
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C16H22N4O/c1-4-19(10-13-9-7-6-8-12(13)3)16(21)15-14(17)11-20(5-2)18-15/h6-9,11H,4-5,10,17H2,1-3H3
InChIKeyLPAUWXYDQREYFM-UHFFFAOYSA-N
XLogP2.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055
4-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 65358307
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-amino-N-benzyl-N-(cyanomethyl)-1-ethylpyrazole-3-carboxamide
CID 65357821
4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 79476986
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propylpyrazole-3-carboxamide
CID 65358051
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 65358337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide (CID 65357893) is 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide is CCN(Cc1ccccc1C)C(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is LPAUWXYDQREYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(10-13-9-7-6-8-12(13)3)16(21)15-14(17)11-20(5-2)18-15/h6-9,11H,4-5,10,17H2,1-3H3.
What are the key properties of 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide?
4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65357893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).