N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine

C10H19N3 — CID 54847144

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C10H19N3/c1-5-11-7-8-6-9(13-12-8)10(2,3)4/h6,11H,5,7H2,1-4H3,(H,12,13)
InChIKeyKLRQPHSLZUOMTI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 54847144) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID54847144
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C10H19N3/c1-5-11-7-8-6-9(13-12-8)10(2,3)4/h6,11H,5,7H2,1-4H3,(H,12,13)
InChIKeyKLRQPHSLZUOMTI-UHFFFAOYSA-N
XLogP1.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-tert-butyl-1H-pyrazol-5-yl)methylamino]butanenitrile
CID 166840017
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
2-[(3-tert-butyl-1H-pyrazol-5-yl)methylamino]propanenitrile
CID 156892767
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 171515765
3-(3-tert-butyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 112710278
3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine
CID 105449521
2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide
CID 56897958
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91833520
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 46993388
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 118790764
N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112347

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 54847144) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine is CCNCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is KLRQPHSLZUOMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-11-7-8-6-9(13-12-8)10(2,3)4/h6,11H,5,7H2,1-4H3,(H,12,13).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 54847144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).