N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine

C16H23N3O — CID 103009843

IUPACN-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
SMILESCCNC(CCc1cnn(C)c1)COc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-17-15(10-9-14-11-18-19(2)12-14)13-20-16-7-5-4-6-8-16/h4-8,11-12,15,17H,3,9-10,13H2,1-2H3
InChIKeyUUHVSKDDSXSRMS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds8

About N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine

N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine (PubChem CID 103009843) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
PubChem CID103009843
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
SMILESCCNC(CCc1cnn(C)c1)COc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-17-15(10-9-14-11-18-19(2)12-14)13-20-16-7-5-4-6-8-16/h4-8,11-12,15,17H,3,9-10,13H2,1-2H3
InChIKeyUUHVSKDDSXSRMS-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine?
The IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine (CID 103009843) is N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine.
What is the SMILES notation for N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine?
The canonical SMILES for N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine is CCNC(CCc1cnn(C)c1)COc1ccccc1.
What is the InChIKey of N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine?
The InChIKey is UUHVSKDDSXSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-15(10-9-14-11-18-19(2)12-14)13-20-16-7-5-4-6-8-16/h4-8,11-12,15,17H,3,9-10,13H2,1-2H3.
What are the key properties of N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine?
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine is sourced from PubChem (CID 103009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).