1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

C17H25N3 — CID 105088724

IUPAC1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCc1ccc(CC(N)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3/c1-12-5-7-15(8-6-12)11-16(18)9-10-17-13(2)19-20(4)14(17)3/h5-8,16H,9-11,18H2,1-4H3
InChIKeyUMGJWGUKLRXCMI-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (PubChem CID 105088724) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
PubChem CID105088724
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCc1ccc(CC(N)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3/c1-12-5-7-15(8-6-12)11-16(18)9-10-17-13(2)19-20(4)14(17)3/h5-8,16H,9-11,18H2,1-4H3
InChIKeyUMGJWGUKLRXCMI-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
1-(3-chloro-4-fluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103043410
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105089319
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(4-methylphenyl)butan-2-amine
CID 105161042
[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105310364
7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
CID 105177156
1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105152911
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (CID 105088724) is 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is Cc1ccc(CC(N)CCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The InChIKey is UMGJWGUKLRXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-5-7-15(8-6-12)11-16(18)9-10-17-13(2)19-20(4)14(17)3/h5-8,16H,9-11,18H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 105088724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).