2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

C16H23N3 — CID 103007076

IUPAC2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCc1ccc(C)c(C(C)(N)CCc2ccnn2C)c1
InChIInChI=1S/C16H23N3/c1-12-5-6-13(2)15(11-12)16(3,17)9-7-14-8-10-18-19(14)4/h5-6,8,10-11H,7,9,17H2,1-4H3
InChIKeyQXPMIMRUYFCFMD-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.84
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103007076) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103007076
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCc1ccc(C)c(C(C)(N)CCc2ccnn2C)c1
InChIInChI=1S/C16H23N3/c1-12-5-6-13(2)15(11-12)16(3,17)9-7-14-8-10-18-19(14)4/h5-6,8,10-11H,7,9,17H2,1-4H3
InChIKeyQXPMIMRUYFCFMD-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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E-55888
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(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
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Fezolamine
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3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
2-Methyl-2,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulene
CID 44330637
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-methylbenzonitrile
CID 131982530
4-(1,5-Dimethyl-1H-pyrazol-4-yl)benzonitrile
CID 145961259

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103007076) is 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is Cc1ccc(C)c(C(C)(N)CCc2ccnn2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is QXPMIMRUYFCFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-5-6-13(2)15(11-12)16(3,17)9-7-14-8-10-18-19(14)4/h5-6,8,10-11H,7,9,17H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103007076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).