3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C14H18N4O — CID 43337131

IUPAC3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C14H18N4O/c1-4-10-7-5-6-8(2)12(10)16-14(19)11-9(3)17-18-13(11)15/h5-7H,4H2,1-3H3,(H,16,19)(H3,15,17,18)
InChIKeyIMAONLMXGYITTB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.42
Rot. Bonds3

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

3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43337131) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID43337131
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C14H18N4O/c1-4-10-7-5-6-8(2)12(10)16-14(19)11-9(3)17-18-13(11)15/h5-7H,4H2,1-3H3,(H,16,19)(H3,15,17,18)
InChIKeyIMAONLMXGYITTB-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-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
CID 115564788
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5066932
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
N-(2-ethyl-6-methylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235210
4-amino-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 62153378
3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62329109
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112770772

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 43337131) is 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is CCc1cccc(C)c1NC(=O)c1c(N)n[nH]c1C.
What is the InChIKey of 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is IMAONLMXGYITTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-10-7-5-6-8(2)12(10)16-14(19)11-9(3)17-18-13(11)15/h5-7H,4H2,1-3H3,(H,16,19)(H3,15,17,18).
What are the key properties of 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-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 3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43337131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).