3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine

C15H22N4O — CID 66196027

IUPAC3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H22N4O/c1-5-13-14(16)15(19(3)18-13)17-10(2)11-6-8-12(20-4)9-7-11/h6-10,17H,5,16H2,1-4H3
InChIKeyKNZXOCBDUIZWOA-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.75
Rot. Bonds5

About 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine

3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine (PubChem CID 66196027) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
PubChem CID66196027
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H22N4O/c1-5-13-14(16)15(19(3)18-13)17-10(2)11-6-8-12(20-4)9-7-11/h6-10,17H,5,16H2,1-4H3
InChIKeyKNZXOCBDUIZWOA-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016788
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine
CID 66015829
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
CID 66016028
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258
5-N-(3-bromo-5-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 82857561
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine (CID 66196027) is 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NC(C)c2ccc(OC)cc2)c1N.
What is the InChIKey of 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
The InChIKey is KNZXOCBDUIZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-13-14(16)15(19(3)18-13)17-10(2)11-6-8-12(20-4)9-7-11/h6-10,17H,5,16H2,1-4H3.
What are the key properties of 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66196027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).