1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine

C14H27N3 — CID 62729711

IUPAC1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
SMILESCCCCC(CC)Cn1cc(C(N)CC)cn1
InChIInChI=1S/C14H27N3/c1-4-7-8-12(5-2)10-17-11-13(9-16-17)14(15)6-3/h9,11-12,14H,4-8,10,15H2,1-3H3
InChIKeyBVHAXISPWSGBPN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.51
Rot. Bonds8

About 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine

1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine (PubChem CID 62729711) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
PubChem CID62729711
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
SMILESCCCCC(CC)Cn1cc(C(N)CC)cn1
InChIInChI=1S/C14H27N3/c1-4-7-8-12(5-2)10-17-11-13(9-16-17)14(15)6-3/h9,11-12,14H,4-8,10,15H2,1-3H3
InChIKeyBVHAXISPWSGBPN-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
CID 62730156
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
CID 106227573
2-[1-(2-ethylhexyl)pyrazol-4-yl]aniline
CID 63338208
[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene
CID 132597018
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
1-(2-ethylpentyl)-4-methylpyrazole
CID 171540355
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
1-(2-ethylhexyl)-1,2,4-triazole
CID 63811004
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine (CID 62729711) is 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine is CCCCC(CC)Cn1cc(C(N)CC)cn1.
What is the InChIKey of 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is BVHAXISPWSGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-8-12(5-2)10-17-11-13(9-16-17)14(15)6-3/h9,11-12,14H,4-8,10,15H2,1-3H3.
What are the key properties of 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine?
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62729711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).