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

C15H22N4O2 — CID 66029467

IUPAC5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCOc1ccc(OC)c(Nc2c(N)c(C)nn2C(C)C)c1
InChIInChI=1S/C15H22N4O2/c1-9(2)19-15(14(16)10(3)18-19)17-12-8-11(20-4)6-7-13(12)21-5/h6-9,17H,16H2,1-5H3
InChIKeyPGQJINIIRJFZFT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.12
Rot. Bonds5

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

5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029467) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029467
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCOc1ccc(OC)c(Nc2c(N)c(C)nn2C(C)C)c1
InChIInChI=1S/C15H22N4O2/c1-9(2)19-15(14(16)10(3)18-19)17-12-8-11(20-4)6-7-13(12)21-5/h6-9,17H,16H2,1-5H3
InChIKeyPGQJINIIRJFZFT-UHFFFAOYSA-N
XLogP3.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554148
5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029657
5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66026174
3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029077
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-4-bromobenzonitrile
CID 107797167
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028114
5-N-(4-methoxyphenyl)-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028553
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800843

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029467) is 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is COc1ccc(OC)c(Nc2c(N)c(C)nn2C(C)C)c1.
What is the InChIKey of 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PGQJINIIRJFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9(2)19-15(14(16)10(3)18-19)17-12-8-11(20-4)6-7-13(12)21-5/h6-9,17H,16H2,1-5H3.
What are the key properties of 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 290.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).