2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine

C12H23N3 — CID 62725691

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1cnn(CC)c1
InChIInChI=1S/C12H23N3/c1-4-6-12(3,10-13)7-11-8-14-15(5-2)9-11/h8-9H,4-7,10,13H2,1-3H3
InChIKeyMECDXZVMMNOTAO-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.21
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine (PubChem CID 62725691) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
PubChem CID62725691
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1cnn(CC)c1
InChIInChI=1S/C12H23N3/c1-4-6-12(3,10-13)7-11-8-14-15(5-2)9-11/h8-9H,4-7,10,13H2,1-3H3
InChIKeyMECDXZVMMNOTAO-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
CID 112567934
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
CID 62127656
N'-[(1-ethylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652366
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
CID 62723308
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
1,4-diethylpyrazole;ethane
CID 143641951
2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
CID 55041328
N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
CID 62725434
6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
CID 64505120

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine (CID 62725691) is 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)Cc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is MECDXZVMMNOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-12(3,10-13)7-11-8-14-15(5-2)9-11/h8-9H,4-7,10,13H2,1-3H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 62725691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).