N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

C16H23N3O2 — CID 62903700

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(C(C)Nc2cnn(C(C)C)c2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-10-13(9-17-19)18-12(3)15-7-6-14(20-4)8-16(15)21-5/h6-12,18H,1-5H3
InChIKeyNTRUPPIYUNRFRI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.65
Rot. Bonds6

About N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62903700) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62903700
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(C(C)Nc2cnn(C(C)C)c2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-10-13(9-17-19)18-12(3)15-7-6-14(20-4)8-16(15)21-5/h6-12,18H,1-5H3
InChIKeyNTRUPPIYUNRFRI-UHFFFAOYSA-N
XLogP3.65
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194565
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpyrazol-4-amine
CID 62902829
N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351681
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 103871912
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 62903700) is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is COc1ccc(C(C)Nc2cnn(C(C)C)c2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is NTRUPPIYUNRFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19-10-13(9-17-19)18-12(3)15-7-6-14(20-4)8-16(15)21-5/h6-12,18H,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62903700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).