1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine

C15H22N4 — CID 66018634

IUPAC1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2ccccc2)c1N
InChIInChI=1S/C15H22N4/c1-4-8-13-14(16)15(19(3)18-13)17-11(2)12-9-6-5-7-10-12/h5-7,9-11,17H,4,8,16H2,1-3H3
InChIKeyKPRNDOQPIQMCDD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.13
Rot. Bonds5

About 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine

1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine (PubChem CID 66018634) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
PubChem CID66018634
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2ccccc2)c1N
InChIInChI=1S/C15H22N4/c1-4-8-13-14(16)15(19(3)18-13)17-11(2)12-9-6-5-7-10-12/h5-7,9-11,17H,4,8,16H2,1-3H3
InChIKeyKPRNDOQPIQMCDD-UHFFFAOYSA-N
XLogP3.13
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol
CID 66017879
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016788
3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 106387614
1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
CID 66018319
5-N-[1-(diethylamino)propan-2-yl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017334
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66017701
5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017741
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
CID 66015588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine (CID 66018634) is 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC(C)c2ccccc2)c1N.
What is the InChIKey of 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine?
The InChIKey is KPRNDOQPIQMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-8-13-14(16)15(19(3)18-13)17-11(2)12-9-6-5-7-10-12/h5-7,9-11,17H,4,8,16H2,1-3H3.
What are the key properties of 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66018634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).