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

C10H19N3 — CID 62505904

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1cnn(CC)c1
InChIInChI=1S/C10H19N3/c1-3-9(6-11)5-10-7-12-13(4-2)8-10/h7-9H,3-6,11H2,1-2H3
InChIKeyCVPHCCOHSRWFAI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds5

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

2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 62505904) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID62505904
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1cnn(CC)c1
InChIInChI=1S/C10H19N3/c1-3-9(6-11)5-10-7-12-13(4-2)8-10/h7-9H,3-6,11H2,1-2H3
InChIKeyCVPHCCOHSRWFAI-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylpyrazol-4-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443681
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718173
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
1,4-diethylpyrazole;ethane
CID 143641951
[1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-yl]hydrazine
CID 105291388
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79067191

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine (CID 62505904) is 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine is CCC(CN)Cc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is CVPHCCOHSRWFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-9(6-11)5-10-7-12-13(4-2)8-10/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.43, 5 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]butan-1-amine is sourced from PubChem (CID 62505904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).