1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine

C14H27N3 — CID 114211654

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
SMILESCCc1cc(CC(N)CCC(C)(C)C)n(C)n1
InChIInChI=1S/C14H27N3/c1-6-12-10-13(17(5)16-12)9-11(15)7-8-14(2,3)4/h10-11H,6-9,15H2,1-5H3
InChIKeyFOUXCQYCUMXNPA-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine (PubChem CID 114211654) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
PubChem CID114211654
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
SMILESCCc1cc(CC(N)CCC(C)(C)C)n(C)n1
InChIInChI=1S/C14H27N3/c1-6-12-10-13(17(5)16-12)9-11(15)7-8-14(2,3)4/h10-11H,6-9,15H2,1-5H3
InChIKeyFOUXCQYCUMXNPA-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
CID 105160147
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 66057081
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 83091915
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine (CID 114211654) is 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine is CCc1cc(CC(N)CCC(C)(C)C)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine?
The InChIKey is FOUXCQYCUMXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-12-10-13(17(5)16-12)9-11(15)7-8-14(2,3)4/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.68, 5 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)-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 114211654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).