2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine

C17H27N3O — CID 43788231

IUPAC2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
SMILESCc1ccc(-c2[nH]ncc2CNC(C)(C)CC(C)(C)C)o1
InChIInChI=1S/C17H27N3O/c1-12-7-8-14(21-12)15-13(10-19-20-15)9-18-17(5,6)11-16(2,3)4/h7-8,10,18H,9,11H2,1-6H3,(H,19,20)
InChIKeyHEQDNAPJBYUYGB-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.28
Rot. Bonds5

About 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine

2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine (PubChem CID 43788231) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
PubChem CID43788231
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
SMILESCc1ccc(-c2[nH]ncc2CNC(C)(C)CC(C)(C)C)o1
InChIInChI=1S/C17H27N3O/c1-12-7-8-14(21-12)15-13(10-19-20-15)9-18-17(5,6)11-16(2,3)4/h7-8,10,18H,9,11H2,1-6H3,(H,19,20)
InChIKeyHEQDNAPJBYUYGB-UHFFFAOYSA-N
XLogP4.28
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 43760366
3-bromo-4-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 63333019
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate
CID 107237111
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
CID 104980741

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine (CID 43788231) is 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine is Cc1ccc(-c2[nH]ncc2CNC(C)(C)CC(C)(C)C)o1.
What is the InChIKey of 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine?
The InChIKey is HEQDNAPJBYUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-7-8-14(21-12)15-13(10-19-20-15)9-18-17(5,6)11-16(2,3)4/h7-8,10,18H,9,11H2,1-6H3,(H,19,20).
What are the key properties of 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine?
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine is sourced from PubChem (CID 43788231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).