N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine

C15H27N3O2 — CID 104940688

IUPACN-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCCn1ncc(OC)c1C(C)=CCCNCCOC
InChIInChI=1S/C15H27N3O2/c1-5-10-18-15(14(20-4)12-17-18)13(2)7-6-8-16-9-11-19-3/h7,12,16H,5-6,8-11H2,1-4H3
InChIKeyYPRDKCPFHVMQAE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.33
Rot. Bonds10

About N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine

N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine (PubChem CID 104940688) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
PubChem CID104940688
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCCn1ncc(OC)c1C(C)=CCCNCCOC
InChIInChI=1S/C15H27N3O2/c1-5-10-18-15(14(20-4)12-17-18)13(2)7-6-8-16-9-11-19-3/h7,12,16H,5-6,8-11H2,1-4H3
InChIKeyYPRDKCPFHVMQAE-UHFFFAOYSA-N
XLogP2.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940638
(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
CID 114666319
(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114666344
(Z)-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666323
(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
CID 114666313
(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
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114670350
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
CID 104663334

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine (CID 104940688) is N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine is CCCn1ncc(OC)c1C(C)=CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
The InChIKey is YPRDKCPFHVMQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-10-18-15(14(20-4)12-17-18)13(2)7-6-8-16-9-11-19-3/h7,12,16H,5-6,8-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine?
N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 104940688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).