4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine

C12H15N3O — CID 117309607

IUPAC4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
SMILESCCOc1ccc(C)cc1-c1cn[nH]c1N
InChIInChI=1S/C12H15N3O/c1-3-16-11-5-4-8(2)6-9(11)10-7-14-15-12(10)13/h4-7H,3H2,1-2H3,(H3,13,14,15)
InChIKeyLEWXDPPVMPAIGM-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.37
Rot. Bonds3

About 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine

4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117309607) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117309607
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
SMILESCCOc1ccc(C)cc1-c1cn[nH]c1N
InChIInChI=1S/C12H15N3O/c1-3-16-11-5-4-8(2)6-9(11)10-7-14-15-12(10)13/h4-7H,3H2,1-2H3,(H3,13,14,15)
InChIKeyLEWXDPPVMPAIGM-UHFFFAOYSA-N
XLogP2.37
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 82371443
2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
CID 178133907
4-[2-[2-(diethylamino)ethoxy]phenyl]-1H-pyrazol-5-amine
CID 141134738
4-ethoxy-3-(5-methyl-1H-pyrazol-3-yl)aniline
CID 166276038
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
2-(2-ethoxyphenyl)-5-methylaniline
CID 82766449
1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65361723
CID 67422978
CID 67422978
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
CID 65362475

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine (CID 117309607) is 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine is CCOc1ccc(C)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is LEWXDPPVMPAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-16-11-5-4-8(2)6-9(11)10-7-14-15-12(10)13/h4-7H,3H2,1-2H3,(H3,13,14,15).
What are the key properties of 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine?
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117309607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).