5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine

C17H23N3O — CID 103164027

IUPAC5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCCOC1CC(Cc2[nH]nc(N)c2-c2ccc(C)cc2)C1
InChIInChI=1S/C17H23N3O/c1-3-21-14-8-12(9-14)10-15-16(17(18)20-19-15)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H3,18,19,20)
InChIKeyVMOUDJMIPYTEEE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds5

About 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine

5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 103164027) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID103164027
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCCOC1CC(Cc2[nH]nc(N)c2-c2ccc(C)cc2)C1
InChIInChI=1S/C17H23N3O/c1-3-21-14-8-12(9-14)10-15-16(17(18)20-19-15)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H3,18,19,20)
InChIKeyVMOUDJMIPYTEEE-UHFFFAOYSA-N
XLogP3.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
CID 103162624
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
3-[(3-ethoxycyclobutyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 103164455
5-cyclopentyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829082
5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829434
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
CID 103163943
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine
CID 82081179
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 103164027) is 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine is CCOC1CC(Cc2[nH]nc(N)c2-c2ccc(C)cc2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is VMOUDJMIPYTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-21-14-8-12(9-14)10-15-16(17(18)20-19-15)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H3,18,19,20).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103164027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).