N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine

C13H23N3O — CID 116803768

IUPACN-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
SMILESCCn1cc(OCCNCC2CCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-2-16-11-13(10-15-16)17-8-7-14-9-12-5-3-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyJTZVHZNJBCDCEM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.06
Rot. Bonds7

About N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine

N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine (PubChem CID 116803768) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
PubChem CID116803768
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
SMILESCCn1cc(OCCNCC2CCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-2-16-11-13(10-15-16)17-8-7-14-9-12-5-3-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyJTZVHZNJBCDCEM-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.06
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-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
1-ethyl-4-hexoxypyrazole
CID 116804751
2-(1-ethylpyrazol-4-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 116803782
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
N-[[3-[2-(1-ethylpyrazol-4-yl)oxyethoxy]phenyl]methyl]ethanamine
CID 116803276
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine (CID 116803768) is N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine is CCn1cc(OCCNCC2CCCC2)cn1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine?
The InChIKey is JTZVHZNJBCDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-11-13(10-15-16)17-8-7-14-9-12-5-3-4-6-12/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine?
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine is sourced from PubChem (CID 116803768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).