1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine

C16H23N3O — CID 104955808

IUPAC1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
SMILESCCCOc1ccc(C(C)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C16H23N3O/c1-5-10-20-15-8-6-14(7-9-15)12(2)17-16-11-19(4)18-13(16)3/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyDGLIIEBFTHVQHZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.69
Rot. Bonds6

About 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine

1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine (PubChem CID 104955808) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
PubChem CID104955808
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
SMILESCCCOc1ccc(C(C)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C16H23N3O/c1-5-10-20-15-8-6-14(7-9-15)12(2)17-16-11-19(4)18-13(16)3/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyDGLIIEBFTHVQHZ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686
3-bromo-2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 107630254
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 80685309
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
2-bromo-3-chloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 103478542
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine (CID 104955808) is 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine is CCCOc1ccc(C(C)Nc2cn(C)nc2C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine?
The InChIKey is DGLIIEBFTHVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-10-20-15-8-6-14(7-9-15)12(2)17-16-11-19(4)18-13(16)3/h6-9,11-12,17H,5,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine?
1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 104955808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).