1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine

C17H25N3 — CID 105160252

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
SMILESCCc1cc(CC(N)CCc2cccc(C)c2)n(C)n1
InChIInChI=1S/C17H25N3/c1-4-16-12-17(20(3)19-16)11-15(18)9-8-14-7-5-6-13(2)10-14/h5-7,10,12,15H,4,8-9,11,18H2,1-3H3
InChIKeyRCHMMQDHNVJLLC-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.79
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 105160252) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
PubChem CID105160252
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
SMILESCCc1cc(CC(N)CCc2cccc(C)c2)n(C)n1
InChIInChI=1S/C17H25N3/c1-4-16-12-17(20(3)19-16)11-15(18)9-8-14-7-5-6-13(2)10-14/h5-7,10,12,15H,4,8-9,11,18H2,1-3H3
InChIKeyRCHMMQDHNVJLLC-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105158909
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
CID 105177799
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
5-[3-bromo-2-(4-methylphenyl)propyl]-3-ethyl-1-methylpyrazole
CID 79437173
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 105091416

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine (CID 105160252) is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine is CCc1cc(CC(N)CCc2cccc(C)c2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is RCHMMQDHNVJLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-16-12-17(20(3)19-16)11-15(18)9-8-14-7-5-6-13(2)10-14/h5-7,10,12,15H,4,8-9,11,18H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105160252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).