3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine

C16H23N3O — CID 103932474

IUPAC3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-5-14(12-7-9-13(20-4)10-8-12)17-16-11-19(3)18-15(16)6-2/h7-11,14,17H,5-6H2,1-4H3
InChIKeyQMPOMDWBXMSNRW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds6

About 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine

3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine (PubChem CID 103932474) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
PubChem CID103932474
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-5-14(12-7-9-13(20-4)10-8-12)17-16-11-19(3)18-15(16)6-2/h7-11,14,17H,5-6H2,1-4H3
InChIKeyQMPOMDWBXMSNRW-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 103932600
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275
N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 136571896
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine
CID 167861816
3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
CID 107462723

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine (CID 103932474) is 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(CC)c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine?
The InChIKey is QMPOMDWBXMSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-14(12-7-9-13(20-4)10-8-12)17-16-11-19(3)18-15(16)6-2/h7-11,14,17H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103932474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).