4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C15H20N4O — CID 62082971

IUPAC4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C15H20N4O/c1-4-10-7-6-8-11(5-2)13(10)17-15(20)14-12(16)9(3)18-19-14/h6-8H,4-5,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQNRJXFXXSFYSFE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.68
Rot. Bonds4

About 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62082971) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62082971
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C15H20N4O/c1-4-10-7-6-8-11(5-2)13(10)17-15(20)14-12(16)9(3)18-19-14/h6-8H,4-5,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQNRJXFXXSFYSFE-UHFFFAOYSA-N
XLogP2.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
CID 62082084
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081041
4-amino-5-methyl-N-(3-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 62083333
4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 62323870
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
4-amino-5-methyl-N-(1,2-oxazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62902050
4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 62305713
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62082971) is 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QNRJXFXXSFYSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-10-7-6-8-11(5-2)13(10)17-15(20)14-12(16)9(3)18-19-14/h6-8H,4-5,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).