1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine

C16H22ClN3 — CID 115995440

IUPAC1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H22ClN3/c1-5-14(18-6-2)13-9-7-8-10-15(13)20-12(4)16(17)11(3)19-20/h7-10,14,18H,5-6H2,1-4H3
InChIKeyFIOUYGHYNZBIND-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine

1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine (PubChem CID 115995440) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
PubChem CID115995440
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H22ClN3/c1-5-14(18-6-2)13-9-7-8-10-15(13)20-12(4)16(17)11(3)19-20/h7-10,14,18H,5-6H2,1-4H3
InChIKeyFIOUYGHYNZBIND-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 62129570
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995444
N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 62130367
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63816940
1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678321
N-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62129571
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine (CID 115995440) is 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is FIOUYGHYNZBIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-5-14(18-6-2)13-9-7-8-10-15(13)20-12(4)16(17)11(3)19-20/h7-10,14,18H,5-6H2,1-4H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115995440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).