1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine

C16H23N3O — CID 43729083

IUPAC1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H23N3O/c1-14(8-9-15-6-4-3-5-7-15)18-16-12-17-19(13-16)10-11-20-2/h3-7,12-14,18H,8-11H2,1-2H3
InChIKeySZAFQHANCZTKQO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds8

About 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine

1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine (PubChem CID 43729083) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
PubChem CID43729083
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H23N3O/c1-14(8-9-15-6-4-3-5-7-15)18-16-12-17-19(13-16)10-11-20-2/h3-7,12-14,18H,8-11H2,1-2H3
InChIKeySZAFQHANCZTKQO-UHFFFAOYSA-N
XLogP2.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
CID 79007290
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
N-[1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728906
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43728870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine (CID 43729083) is 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine is COCCn1cc(NC(C)CCc2ccccc2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine?
The InChIKey is SZAFQHANCZTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14(8-9-15-6-4-3-5-7-15)18-16-12-17-19(13-16)10-11-20-2/h3-7,12-14,18H,8-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine?
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 43729083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).