ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

C9H19N3 — CID 171515765

IUPACethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCC.CCNCc1cc(C)[nH]n1
InChIInChI=1S/C7H13N3.C2H6/c1-3-8-5-7-4-6(2)9-10-7;1-2/h4,8H,3,5H2,1-2H3,(H,9,10);1-2H3
InChIKeyMZZNEYYLHMWFNC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (PubChem CID 171515765) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
PubChem CID171515765
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCC.CCNCc1cc(C)[nH]n1
InChIInChI=1S/C7H13N3.C2H6/c1-3-8-5-7-4-6(2)9-10-7;1-2/h4,8H,3,5H2,1-2H3,(H,9,10);1-2H3
InChIKeyMZZNEYYLHMWFNC-UHFFFAOYSA-N
XLogP1.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-methyl-1H-pyrazol-3-yl)methylamino]ethanol
CID 115630410
N-[[1-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-3-yl]methyl]ethanamine
CID 81337691
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
ethane;N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550672
(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
CID 104867583
N-[[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 81342700
N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81342336
N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550481
3,5-dimethyl-1H-pyrazole;ethanol
CID 175303742
4-(5-methyl-1H-pyrazol-3-yl)butan-2-one
CID 82417105
2-(5-methyl-1H-pyrazol-3-yl)acetonitrile
CID 70253453

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The IUPAC name of ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (CID 171515765) is ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is CC.CCNCc1cc(C)[nH]n1.
What is the InChIKey of ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The InChIKey is MZZNEYYLHMWFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-3-8-5-7-4-6(2)9-10-7;1-2/h4,8H,3,5H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 171515765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).