3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine

C15H22N4O — CID 66014362

IUPAC3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H22N4O/c1-4-13-14(16)15(19(2)18-13)17-10-9-11-5-7-12(20-3)8-6-11/h5-8,17H,4,9-10,16H2,1-3H3
InChIKeyMZMUSDNYXSQSKV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.23
Rot. Bonds6

About 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine

3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine (PubChem CID 66014362) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
PubChem CID66014362
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H22N4O/c1-4-13-14(16)15(19(2)18-13)17-10-9-11-5-7-12(20-3)8-6-11/h5-8,17H,4,9-10,16H2,1-3H3
InChIKeyMZMUSDNYXSQSKV-UHFFFAOYSA-N
XLogP2.23
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
4-ethyl-5-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazol-3-amine
CID 43670771
3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
CID 66016747
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016551
3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106007265
4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66014425
5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019278
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide
CID 66014592
5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 103291780
3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine
CID 66015421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine (CID 66014362) is 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCCc2ccc(OC)cc2)c1N.
What is the InChIKey of 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
The InChIKey is MZMUSDNYXSQSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-13-14(16)15(19(2)18-13)17-10-9-11-5-7-12(20-3)8-6-11/h5-8,17H,4,9-10,16H2,1-3H3.
What are the key properties of 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine?
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66014362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).