1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol

C13H20N4O — CID 64771770

IUPAC1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C13H20N4O/c1-4-13(18)11-7-14-16(8-11)9-12-5-6-17(15-12)10(2)3/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyGMIFEECDGYOVST-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.15
Rot. Bonds5

About 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol

1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 64771770) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID64771770
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C13H20N4O/c1-4-13(18)11-7-14-16(8-11)9-12-5-6-17(15-12)10(2)3/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyGMIFEECDGYOVST-UHFFFAOYSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol (CID 64771770) is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(Cc2ccn(C(C)C)n2)c1.
What is the InChIKey of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is GMIFEECDGYOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-13(18)11-7-14-16(8-11)9-12-5-6-17(15-12)10(2)3/h5-8,10,13,18H,4,9H2,1-3H3.
What are the key properties of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 64771770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).