1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol

C12H23N3O2 — CID 86808943

IUPAC1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1[nH]ncc1CNCC(O)COCC(C)C
InChIInChI=1S/C12H23N3O2/c1-9(2)7-17-8-12(16)6-13-4-11-5-14-15-10(11)3/h5,9,12-13,16H,4,6-8H2,1-3H3,(H,14,15)
InChIKeyGEPREKOCBUDLSP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.84
Rot. Bonds8

About 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol

1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 86808943) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
PubChem CID86808943
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1[nH]ncc1CNCC(O)COCC(C)C
InChIInChI=1S/C12H23N3O2/c1-9(2)7-17-8-12(16)6-13-4-11-5-14-15-10(11)3/h5,9,12-13,16H,4,6-8H2,1-3H3,(H,14,15)
InChIKeyGEPREKOCBUDLSP-UHFFFAOYSA-N
XLogP0.84
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol (CID 86808943) is 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol is Cc1[nH]ncc1CNCC(O)COCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is GEPREKOCBUDLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)7-17-8-12(16)6-13-4-11-5-14-15-10(11)3/h5,9,12-13,16H,4,6-8H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 86808943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).