N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine

C14H25N3O — CID 64785550

IUPACN-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3O/c1-12(2)15-8-10-18-11-13-7-9-17(16-13)14-5-3-4-6-14/h7,9,12,14-15H,3-6,8,10-11H2,1-2H3
InChIKeyFXHVBMPNANLUMN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds7

About N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine

N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine (PubChem CID 64785550) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
PubChem CID64785550
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3O/c1-12(2)15-8-10-18-11-13-7-9-17(16-13)14-5-3-4-6-14/h7,9,12,14-15H,3-6,8,10-11H2,1-2H3
InChIKeyFXHVBMPNANLUMN-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 64785741
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171879
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
CID 64785182
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine (CID 64785550) is N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine is CC(C)NCCOCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine?
The InChIKey is FXHVBMPNANLUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)15-8-10-18-11-13-7-9-17(16-13)14-5-3-4-6-14/h7,9,12,14-15H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine?
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 64785550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).