(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol

C12H15ClN4O2 — CID 102950533

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol
SMILESCOc1cc(C(O)c2c(Cl)cnn2C(C)C)ncn1
InChIInChI=1S/C12H15ClN4O2/c1-7(2)17-11(8(13)5-16-17)12(18)9-4-10(19-3)15-6-14-9/h4-7,12,18H,1-3H3
InChIKeyZEDRFZMEBMKNTK-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.00
Rot. Bonds4

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol (PubChem CID 102950533) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol
PubChem CID102950533
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol
SMILESCOc1cc(C(O)c2c(Cl)cnn2C(C)C)ncn1
InChIInChI=1S/C12H15ClN4O2/c1-7(2)17-11(8(13)5-16-17)12(18)9-4-10(19-3)15-6-14-9/h4-7,12,18H,1-3H3
InChIKeyZEDRFZMEBMKNTK-UHFFFAOYSA-N
XLogP2.00
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol (CID 102950533) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol is COc1cc(C(O)c2c(Cl)cnn2C(C)C)ncn1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol?
The InChIKey is ZEDRFZMEBMKNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-7(2)17-11(8(13)5-16-17)12(18)9-4-10(19-3)15-6-14-9/h4-7,12,18H,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol has a molecular weight of 282.73 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanol is sourced from PubChem (CID 102950533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).