4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine

C14H25N3O — CID 164576556

IUPAC4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
SMILESNCCCCOc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C14H25N3O/c15-8-4-5-9-18-14-10-16-17(12-14)11-13-6-2-1-3-7-13/h10,12-13H,1-9,11,15H2
InChIKeyWJWOINXOKDLBSA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds7

About 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine

4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine (PubChem CID 164576556) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine.

Molecular Properties

Compound Name4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
PubChem CID164576556
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
SMILESNCCCCOc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C14H25N3O/c15-8-4-5-9-18-14-10-16-17(12-14)11-13-6-2-1-3-7-13/h10,12-13H,1-9,11,15H2
InChIKeyWJWOINXOKDLBSA-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 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 ≤ 52.58
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

3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
CID 164885763
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
CID 164885762
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164885761
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
2-[4-(2-pyrrolidin-1-ylethoxy)pyrazol-1-yl]ethanamine
CID 117234343
4-(3-aminopropoxy)pyrazol-1-amine
CID 117229962
2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
CID 164885787

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine?
The IUPAC name of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine (CID 164576556) is 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine.
What is the SMILES notation for 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine?
The canonical SMILES for 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine is NCCCCOc1cnn(CC2CCCCC2)c1.
What is the InChIKey of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine?
The InChIKey is WJWOINXOKDLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-8-4-5-9-18-14-10-16-17(12-14)11-13-6-2-1-3-7-13/h10,12-13H,1-9,11,15H2.
What are the key properties of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine?
4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine is sourced from PubChem (CID 164576556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).