4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol

C13H24N4O2 — CID 81135030

IUPAC4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol
SMILESCCCn1nc(C)c(N)c1NCC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2/c1-3-6-17-12(11(14)10(2)16-17)15-9-13(18)4-7-19-8-5-13/h15,18H,3-9,14H2,1-2H3
InChIKeyWEDUBWKIIUWYMY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds5

About 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol

4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol (PubChem CID 81135030) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol
PubChem CID81135030
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol
SMILESCCCn1nc(C)c(N)c1NCC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2/c1-3-6-17-12(11(14)10(2)16-17)15-9-13(18)4-7-19-8-5-13/h15,18H,3-9,14H2,1-2H3
InChIKeyWEDUBWKIIUWYMY-UHFFFAOYSA-N
XLogP1.14
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

3-[[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]methyl]oxolan-3-ol
CID 106102031
1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine
CID 104759023
3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine
CID 66029174
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
CID 114947756
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 66029788
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-N-cyclopropylacetamide
CID 66029167
3-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]cyclobutan-1-ol
CID 66029998
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 66028394
5-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 66027289
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol (CID 81135030) is 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol is CCCn1nc(C)c(N)c1NCC1(O)CCOCC1.
What is the InChIKey of 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol?
The InChIKey is WEDUBWKIIUWYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-6-17-12(11(14)10(2)16-17)15-9-13(18)4-7-19-8-5-13/h15,18H,3-9,14H2,1-2H3.
What are the key properties of 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol?
4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol has a molecular weight of 268.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81135030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).