1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine

C17H25N3 — CID 82694896

IUPAC1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-n2nc(CC)cc2CC)c1
InChIInChI=1S/C17H25N3/c1-5-15-12-16(6-2)20(19-15)17-10-8-9-14(11-17)13(4)18-7-3/h8-13,18H,5-7H2,1-4H3
InChIKeyRHDSNZSEWRDCNQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.67
Rot. Bonds6

About 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine

1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 82694896) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID82694896
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-n2nc(CC)cc2CC)c1
InChIInChI=1S/C17H25N3/c1-5-15-12-16(6-2)20(19-15)17-10-8-9-14(11-17)13(4)18-7-3/h8-13,18H,5-7H2,1-4H3
InChIKeyRHDSNZSEWRDCNQ-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
CID 79170940
N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
CID 79678083
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 79170870
2-[3-[1-(ethylamino)ethyl]phenyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79876298
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
CID 103124633
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727
N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
CID 112644505
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine (CID 82694896) is 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-n2nc(CC)cc2CC)c1.
What is the InChIKey of 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is RHDSNZSEWRDCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-15-12-16(6-2)20(19-15)17-10-8-9-14(11-17)13(4)18-7-3/h8-13,18H,5-7H2,1-4H3.
What are the key properties of 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82694896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).