N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine

C14H25N3O — CID 104940638

IUPACN-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCCn1ncc(OC)c1C(C)=CCCNCC
InChIInChI=1S/C14H25N3O/c1-5-10-17-14(13(18-4)11-16-17)12(3)8-7-9-15-6-2/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyBRNKASBFQCQHMS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds8

About N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine

N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine (PubChem CID 104940638) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
PubChem CID104940638
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCCn1ncc(OC)c1C(C)=CCCNCC
InChIInChI=1S/C14H25N3O/c1-5-10-17-14(13(18-4)11-16-17)12(3)8-7-9-15-6-2/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyBRNKASBFQCQHMS-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940688
(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
CID 114666313
(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
CID 114666319
(Z)-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666323
(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine
CID 114666303
N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine
CID 104940653
(E)-N-ethyl-4-(3-propyltriazol-4-yl)pent-3-en-1-amine
CID 114691329
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114666344
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79597937
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine (CID 104940638) is N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine is CCCn1ncc(OC)c1C(C)=CCCNCC.
What is the InChIKey of N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
The InChIKey is BRNKASBFQCQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-10-17-14(13(18-4)11-16-17)12(3)8-7-9-15-6-2/h8,11,15H,5-7,9-10H2,1-4H3.
What are the key properties of N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 104940638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).