1-(1-ethylpyrazol-4-yl)decan-1-amine

C15H29N3 — CID 115816084

IUPAC1-(1-ethylpyrazol-4-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cnn(CC)c1
InChIInChI=1S/C15H29N3/c1-3-5-6-7-8-9-10-11-15(16)14-12-17-18(4-2)13-14/h12-13,15H,3-11,16H2,1-2H3
InChIKeyKTSXRTMOOATBGK-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.04
Rot. Bonds10

About 1-(1-ethylpyrazol-4-yl)decan-1-amine

1-(1-ethylpyrazol-4-yl)decan-1-amine (PubChem CID 115816084) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)decan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)decan-1-amine
PubChem CID115816084
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1-ethylpyrazol-4-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cnn(CC)c1
InChIInChI=1S/C15H29N3/c1-3-5-6-7-8-9-10-11-15(16)14-12-17-18(4-2)13-14/h12-13,15H,3-11,16H2,1-2H3
InChIKeyKTSXRTMOOATBGK-UHFFFAOYSA-N
XLogP4.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
1-pyridin-4-ylnonan-1-amine
CID 62600271
1-phenyldecan-1-amine
CID 43175860
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
4-(1-aminooctyl)aniline
CID 137458153

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)decan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)decan-1-amine (CID 115816084) is 1-(1-ethylpyrazol-4-yl)decan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)decan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)decan-1-amine is CCCCCCCCCC(N)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)decan-1-amine?
The InChIKey is KTSXRTMOOATBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-5-6-7-8-9-10-11-15(16)14-12-17-18(4-2)13-14/h12-13,15H,3-11,16H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)decan-1-amine?
1-(1-ethylpyrazol-4-yl)decan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)decan-1-amine is sourced from PubChem (CID 115816084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).