[1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol

C21H24N4O2 — CID 118430507

IUPAC[1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol
SMILESCc1c(C(O)c2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1
InChIInChI=1S/C21H24N4O2/c1-13(2)27-20-18(19(26)16-7-5-4-6-8-16)14(3)25(24-20)21-22-11-17(12-23-21)15-9-10-15/h4-8,11-13,15,19,26H,9-10H2,1-3H3
InChIKeyBSNKBAPMWCMENP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.72
Rot. Bonds6

About [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol

[1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol (PubChem CID 118430507) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol
PubChem CID118430507
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol
SMILESCc1c(C(O)c2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1
InChIInChI=1S/C21H24N4O2/c1-13(2)27-20-18(19(26)16-7-5-4-6-8-16)14(3)25(24-20)21-22-11-17(12-23-21)15-9-10-15/h4-8,11-13,15,19,26H,9-10H2,1-3H3
InChIKeyBSNKBAPMWCMENP-UHFFFAOYSA-N
XLogP3.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol?
The IUPAC name of [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol (CID 118430507) is [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol.
What is the SMILES notation for [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol?
The canonical SMILES for [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol is Cc1c(C(O)c2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1.
What is the InChIKey of [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol?
The InChIKey is BSNKBAPMWCMENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)27-20-18(19(26)16-7-5-4-6-8-16)14(3)25(24-20)21-22-11-17(12-23-21)15-9-10-15/h4-8,11-13,15,19,26H,9-10H2,1-3H3.
What are the key properties of [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol?
[1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol has a molecular weight of 364.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopropylpyrimidin-2-yl)-5-methyl-3-propan-2-yloxypyrazol-4-yl]-phenylmethanol is sourced from PubChem (CID 118430507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).