(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol

C15H20N2O — CID 83090018

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
SMILESCn1cc(C(O)c2ccccc2)c(C(C)(C)C)n1
InChIInChI=1S/C15H20N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)11-8-6-5-7-9-11/h5-10,13,18H,1-4H3
InChIKeyJVFVFPFTVSTXPS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol

(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol (PubChem CID 83090018) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
PubChem CID83090018
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
SMILESCn1cc(C(O)c2ccccc2)c(C(C)(C)C)n1
InChIInChI=1S/C15H20N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)11-8-6-5-7-9-11/h5-10,13,18H,1-4H3
InChIKeyJVFVFPFTVSTXPS-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol (CID 83090018) is (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol is Cn1cc(C(O)c2ccccc2)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol?
The InChIKey is JVFVFPFTVSTXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)11-8-6-5-7-9-11/h5-10,13,18H,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol?
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol has a molecular weight of 244.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol is sourced from PubChem (CID 83090018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).