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

C12H24N4O2 — CID 66027958

IUPAC1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4O2/c1-8(2)16-12(11(13)9(3)14-16)15(4)6-10(17)7-18-5/h8,10,17H,6-7,13H2,1-5H3
InChIKeyCKGOFEFUMCEMFK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.80
Rot. Bonds6

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

1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 66027958) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID66027958
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4O2/c1-8(2)16-12(11(13)9(3)14-16)15(4)6-10(17)7-18-5/h8,10,17H,6-7,13H2,1-5H3
InChIKeyCKGOFEFUMCEMFK-UHFFFAOYSA-N
XLogP0.80
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol (CID 66027958) is 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is CKGOFEFUMCEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(2)16-12(11(13)9(3)14-16)15(4)6-10(17)7-18-5/h8,10,17H,6-7,13H2,1-5H3.
What are the key properties of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 66027958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).