4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide

C14H18N4O — CID 62082853

IUPAC4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cc(C)cc(C)c2)c1N
InChIInChI=1S/C14H18N4O/c1-4-11-12(15)13(18-17-11)14(19)16-10-6-8(2)5-9(3)7-10/h5-7H,4,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXLXWFNJEYGXDST-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.42
Rot. Bonds3

About 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62082853) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62082853
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cc(C)cc(C)c2)c1N
InChIInChI=1S/C14H18N4O/c1-4-11-12(15)13(18-17-11)14(19)16-10-6-8(2)5-9(3)7-10/h5-7H,4,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXLXWFNJEYGXDST-UHFFFAOYSA-N
XLogP2.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 79048461
4-amino-N-(2,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080747
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 115375786
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
4-amino-5-ethyl-N-(1-ethylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 62082337
N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702050
4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide
CID 63669329
4-amino-5-ethyl-N-pyrazin-2-yl-1H-pyrazole-3-carboxamide
CID 55034000
4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081674
4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 82702489
4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62080976
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 62082853) is 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2cc(C)cc(C)c2)c1N.
What is the InChIKey of 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is XLXWFNJEYGXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-11-12(15)13(18-17-11)14(19)16-10-6-8(2)5-9(3)7-10/h5-7H,4,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).