5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H22N4O — CID 66029657

IUPAC5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCOc1ccc(Nc2c(N)c(C)nn2C(C)C)cc1
InChIInChI=1S/C15H22N4O/c1-5-20-13-8-6-12(7-9-13)17-15-14(16)11(4)18-19(15)10(2)3/h6-10,17H,5,16H2,1-4H3
InChIKeyJGLQWPRHBZICMJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.50
Rot. Bonds5

About 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029657) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029657
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCOc1ccc(Nc2c(N)c(C)nn2C(C)C)cc1
InChIInChI=1S/C15H22N4O/c1-5-20-13-8-6-12(7-9-13)17-15-14(16)11(4)18-19(15)10(2)3/h6-10,17H,5,16H2,1-4H3
InChIKeyJGLQWPRHBZICMJ-UHFFFAOYSA-N
XLogP3.50
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile
CID 66029081
5-N-(2-ethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027346
5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029467
5-N-(3,5-dichloro-4-fluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 107571588
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029077
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027035
5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451301
N-(4-ethoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106555751
5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66026959
3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine
CID 66024374
5-N-[2-(dimethylamino)phenyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 106759506

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029657) is 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCOc1ccc(Nc2c(N)c(C)nn2C(C)C)cc1.
What is the InChIKey of 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JGLQWPRHBZICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-20-13-8-6-12(7-9-13)17-15-14(16)11(4)18-19(15)10(2)3/h6-10,17H,5,16H2,1-4H3.
What are the key properties of 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).