2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine

C16H31N3 — CID 83138444

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCc1cc(CC(CNC(C)C)C(C)(C)C)n(C)n1
InChIInChI=1S/C16H31N3/c1-8-14-10-15(19(7)18-14)9-13(16(4,5)6)11-17-12(2)3/h10,12-13,17H,8-9,11H2,1-7H3
InChIKeyJTSDVUPIPJFACI-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.19
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 83138444) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID83138444
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCCc1cc(CC(CNC(C)C)C(C)(C)C)n(C)n1
InChIInChI=1S/C16H31N3/c1-8-14-10-15(19(7)18-14)9-13(16(4,5)6)11-17-12(2)3/h10,12-13,17H,8-9,11H2,1-7H3
InChIKeyJTSDVUPIPJFACI-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-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

2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83141535
N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83141508
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83138737
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724637
3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
CID 79058059
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
1,2-bis(3-ethyl-1-methylpyrazol-5-yl)ethylhydrazine
CID 105317064
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79051878
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 83138444) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine is CCc1cc(CC(CNC(C)C)C(C)(C)C)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is JTSDVUPIPJFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-8-14-10-15(19(7)18-14)9-13(16(4,5)6)11-17-12(2)3/h10,12-13,17H,8-9,11H2,1-7H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 83138444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).