5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine

C13H25N3O — CID 116803192

IUPAC5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
SMILESCCn1cc(OCCCCCNC(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-4-16-11-13(10-15-16)17-9-7-5-6-8-14-12(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyLDRNVNYTBGNOCN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds9

About 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine

5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine (PubChem CID 116803192) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
PubChem CID116803192
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
SMILESCCn1cc(OCCCCCNC(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-4-16-11-13(10-15-16)17-9-7-5-6-8-14-12(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyLDRNVNYTBGNOCN-UHFFFAOYSA-N
XLogP2.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
1-ethyl-4-hexoxypyrazole
CID 116804751
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-methylpropan-1-amine
CID 103075164

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine (CID 116803192) is 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine is CCn1cc(OCCCCCNC(C)C)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine?
The InChIKey is LDRNVNYTBGNOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-16-11-13(10-15-16)17-9-7-5-6-8-14-12(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine?
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 116803192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).