5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine

C14H26N4O — CID 66017153

IUPAC5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CC2CCCOC2)c1N
InChIInChI=1S/C14H26N4O/c1-4-6-12-13(15)14(18(3)16-12)17(2)9-11-7-5-8-19-10-11/h11H,4-10,15H2,1-3H3
InChIKeyXWLMMTHZJDTUQK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.82
Rot. Bonds5

About 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine

5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine (PubChem CID 66017153) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
PubChem CID66017153
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CC2CCCOC2)c1N
InChIInChI=1S/C14H26N4O/c1-4-6-12-13(15)14(18(3)16-12)17(2)9-11-7-5-8-19-10-11/h11H,4-10,15H2,1-3H3
InChIKeyXWLMMTHZJDTUQK-UHFFFAOYSA-N
XLogP1.82
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboxylic acid
CID 63711700
4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
CID 66119492
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 63750874
1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine
CID 66017732
5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
CID 66019042
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80943022
6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80817419
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide
CID 66019457

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine (CID 66017153) is 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)CC2CCCOC2)c1N.
What is the InChIKey of 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine?
The InChIKey is XWLMMTHZJDTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-12-13(15)14(18(3)16-12)17(2)9-11-7-5-8-19-10-11/h11H,4-10,15H2,1-3H3.
What are the key properties of 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine has a molecular weight of 266.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).