[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol

C14H12N4O — CID 66466392

IUPAC[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol
SMILESOCc1cncc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H12N4O/c19-10-13-7-15-8-14(17-13)18-9-12(6-16-18)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyQGPPXNIUCXDPNS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol

[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol (PubChem CID 66466392) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol
PubChem CID66466392
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol
SMILESOCc1cncc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H12N4O/c19-10-13-7-15-8-14(17-13)18-9-12(6-16-18)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyQGPPXNIUCXDPNS-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
CID 66451147
[6-(4-phenylpyrazol-1-yl)-2-pyridinyl]methanol
CID 55113203
[6-(4-phenylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 55112671
N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
CID 107381223
[2-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80900186
3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
CID 55113247
5-(4-phenylpyrazol-1-yl)pyrazin-2-amine
CID 80663482
[6-(4-methylpyrazol-1-yl)-2-pyridinyl]methanol
CID 62253586
(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol
CID 103960389
4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine
CID 80939783
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
CID 143877743

Frequently Asked Questions

What is the IUPAC name of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol (CID 66466392) is [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol is OCc1cncc(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol?
The InChIKey is QGPPXNIUCXDPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-10-13-7-15-8-14(17-13)18-9-12(6-16-18)11-4-2-1-3-5-11/h1-9,19H,10H2.
What are the key properties of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol?
[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 66466392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).