5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine

C13H26N4O — CID 66017741

IUPAC5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(COC)C(C)C)c1N
InChIInChI=1S/C13H26N4O/c1-6-7-10-12(14)13(17(4)16-10)15-11(8-18-5)9(2)3/h9,11,15H,6-8,14H2,1-5H3
InChIKeyNZMMBLUDSUWKEV-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.04
Rot. Bonds7

About 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017741) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66017741
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(COC)C(C)C)c1N
InChIInChI=1S/C13H26N4O/c1-6-7-10-12(14)13(17(4)16-10)15-11(8-18-5)9(2)3/h9,11,15H,6-8,14H2,1-5H3
InChIKeyNZMMBLUDSUWKEV-UHFFFAOYSA-N
XLogP2.04
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
CID 66018319
5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019810
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
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 106387614
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
1-methyl-5-N-(4-methylpentyl)-3-propylpyrazole-4,5-diamine
CID 66019860
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019266
3-methyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)butane-1,2-diamine
CID 66019068

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66017741) is 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC(COC)C(C)C)c1N.
What is the InChIKey of 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is NZMMBLUDSUWKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-7-10-12(14)13(17(4)16-10)15-11(8-18-5)9(2)3/h9,11,15H,6-8,14H2,1-5H3.
What are the key properties of 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).