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

C14H18N4O2 — CID 62083175

IUPAC4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c(C)c2N)c(C)c1
InChIInChI=1S/C14H18N4O2/c1-4-20-10-5-6-11(8(2)7-10)16-14(19)13-12(15)9(3)17-18-13/h5-7H,4,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBFXRTONEBGMYDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.26
Rot. Bonds4

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

4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62083175) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62083175
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c(C)c2N)c(C)c1
InChIInChI=1S/C14H18N4O2/c1-4-20-10-5-6-11(8(2)7-10)16-14(19)13-12(15)9(3)17-18-13/h5-7H,4,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBFXRTONEBGMYDI-UHFFFAOYSA-N
XLogP2.26
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63103395
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62081034
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
CID 62082084
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
2-chloro-N-(4-ethoxy-2-methylphenyl)furan-3-carboxamide
CID 106685543
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62083175) is 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2n[nH]c(C)c2N)c(C)c1.
What is the InChIKey of 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BFXRTONEBGMYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-20-10-5-6-11(8(2)7-10)16-14(19)13-12(15)9(3)17-18-13/h5-7H,4,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62083175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).