4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine

C15H21N3O — CID 61491560

IUPAC4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C15H21N3O/c1-13(16)3-4-14-5-7-15(8-6-14)19-12-11-18-10-2-9-17-18/h2,5-10,13H,3-4,11-12,16H2,1H3
InChIKeyRHFCRDKMFAAZEA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds7

About 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine

4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine (PubChem CID 61491560) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
PubChem CID61491560
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C15H21N3O/c1-13(16)3-4-14-5-7-15(8-6-14)19-12-11-18-10-2-9-17-18/h2,5-10,13H,3-4,11-12,16H2,1H3
InChIKeyRHFCRDKMFAAZEA-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine (CID 61491560) is 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine is CC(N)CCc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine?
The InChIKey is RHFCRDKMFAAZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(16)3-4-14-5-7-15(8-6-14)19-12-11-18-10-2-9-17-18/h2,5-10,13H,3-4,11-12,16H2,1H3.
What are the key properties of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine?
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 61491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).