N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine

C18H35N3 — CID 83141508

IUPACN-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCCc1cc(CC(CNC(C)(C)C)C(C)(C)C)n(CC)n1
InChIInChI=1S/C18H35N3/c1-9-15-12-16(21(10-2)20-15)11-14(17(3,4)5)13-19-18(6,7)8/h12,14,19H,9-11,13H2,1-8H3
InChIKeyVSFJOQLGSHPWRM-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.06
Rot. Bonds6

About N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine

N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 83141508) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID83141508
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCCc1cc(CC(CNC(C)(C)C)C(C)(C)C)n(CC)n1
InChIInChI=1S/C18H35N3/c1-9-15-12-16(21(10-2)20-15)11-14(17(3,4)5)13-19-18(6,7)8/h12,14,19H,9-11,13H2,1-8H3
InChIKeyVSFJOQLGSHPWRM-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-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
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026910
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-(1,3-diethylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79064585
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401842
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105318310
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
CID 83226023

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine (CID 83141508) is N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine is CCc1cc(CC(CNC(C)(C)C)C(C)(C)C)n(CC)n1.
What is the InChIKey of N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is VSFJOQLGSHPWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-9-15-12-16(21(10-2)20-15)11-14(17(3,4)5)13-19-18(6,7)8/h12,14,19H,9-11,13H2,1-8H3.
What are the key properties of N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83141508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).