(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol

C13H16BrN3O — CID 106756354

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2c(Br)cnn2C(C)C)ccn1
InChIInChI=1S/C13H16BrN3O/c1-8(2)17-12(11(14)7-16-17)13(18)10-4-5-15-9(3)6-10/h4-8,13,18H,1-3H3
InChIKeyUYULGZCTBHIJMM-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.01
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol (PubChem CID 106756354) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
PubChem CID106756354
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2c(Br)cnn2C(C)C)ccn1
InChIInChI=1S/C13H16BrN3O/c1-8(2)17-12(11(14)7-16-17)13(18)10-4-5-15-9(3)6-10/h4-8,13,18H,1-3H3
InChIKeyUYULGZCTBHIJMM-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
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(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol (CID 106756354) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol is Cc1cc(C(O)c2c(Br)cnn2C(C)C)ccn1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol?
The InChIKey is UYULGZCTBHIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-8(2)17-12(11(14)7-16-17)13(18)10-4-5-15-9(3)6-10/h4-8,13,18H,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol has a molecular weight of 310.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol is sourced from PubChem (CID 106756354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).