4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine

C13H23N3 — CID 79598869

IUPAC4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1cnn(CC)c1
InChIInChI=1S/C13H23N3/c1-4-8-14-9-6-7-12(3)13-10-15-16(5-2)11-13/h7,10-11,14H,4-6,8-9H2,1-3H3
InChIKeyOWXXKPBKEAXARQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.70
Rot. Bonds7

About 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine

4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine (PubChem CID 79598869) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
PubChem CID79598869
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1cnn(CC)c1
InChIInChI=1S/C13H23N3/c1-4-8-14-9-6-7-12(3)13-10-15-16(5-2)11-13/h7,10-11,14H,4-6,8-9H2,1-3H3
InChIKeyOWXXKPBKEAXARQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.70
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

N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79607971
N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79598749
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666324
N-propyl-4-quinolin-3-ylpent-3-en-1-amine
CID 79598852
(Z)-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666323
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79598084
3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 42573729
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propylpent-3-en-1-amine
CID 106463881

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine (CID 79598869) is 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)c1cnn(CC)c1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine?
The InChIKey is OWXXKPBKEAXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-8-14-9-6-7-12(3)13-10-15-16(5-2)11-13/h7,10-11,14H,4-6,8-9H2,1-3H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine?
4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).