N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine

C14H25N3O — CID 116803738

IUPACN-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
SMILESCCn1cc(OCCCNC2CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-2-17-12-14(11-16-17)18-10-6-9-15-13-7-4-3-5-8-13/h11-13,15H,2-10H2,1H3
InChIKeyTZILDLWDGRBCIE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds7

About N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine

N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine (PubChem CID 116803738) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
PubChem CID116803738
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
SMILESCCn1cc(OCCCNC2CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-2-17-12-14(11-16-17)18-10-6-9-15-13-7-4-3-5-8-13/h11-13,15H,2-10H2,1H3
InChIKeyTZILDLWDGRBCIE-UHFFFAOYSA-N
XLogP2.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
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-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
N-[2-(4-propan-2-yloxypyrazol-1-yl)ethyl]cyclopentanamine
CID 114274297
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 116803262
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
1-ethyl-4-hexoxypyrazole
CID 116804751
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine?
The IUPAC name of N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine (CID 116803738) is N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine.
What is the SMILES notation for N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine?
The canonical SMILES for N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine is CCn1cc(OCCCNC2CCCCC2)cn1.
What is the InChIKey of N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine?
The InChIKey is TZILDLWDGRBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-17-12-14(11-16-17)18-10-6-9-15-13-7-4-3-5-8-13/h11-13,15H,2-10H2,1H3.
What are the key properties of N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine?
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine has a molecular weight of 251.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine is sourced from PubChem (CID 116803738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).