3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol

C13H24N4O2 — CID 106099713

IUPAC3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCc1nn(C(C)C)c(NCC2(O)CCOC2C)c1N
InChIInChI=1S/C13H24N4O2/c1-8(2)17-12(11(14)9(3)16-17)15-7-13(18)5-6-19-10(13)4/h8,10,15,18H,5-7,14H2,1-4H3
InChIKeyHXCLXAFUEXMUDZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds4

About 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106099713) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106099713
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCc1nn(C(C)C)c(NCC2(O)CCOC2C)c1N
InChIInChI=1S/C13H24N4O2/c1-8(2)17-12(11(14)9(3)16-17)15-7-13(18)5-6-19-10(13)4/h8,10,15,18H,5-7,14H2,1-4H3
InChIKeyHXCLXAFUEXMUDZ-UHFFFAOYSA-N
XLogP1.31
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106099713) is 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol is Cc1nn(C(C)C)c(NCC2(O)CCOC2C)c1N.
What is the InChIKey of 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is HXCLXAFUEXMUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-8(2)17-12(11(14)9(3)16-17)15-7-13(18)5-6-19-10(13)4/h8,10,15,18H,5-7,14H2,1-4H3.
What are the key properties of 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 268.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106099713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).