1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole

C14H14N4 — CID 15190535

IUPAC1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESc1cc(Cn2cccn2)cc(Cn2cccn2)c1
InChIInChI=1S/C14H14N4/c1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18/h1-10H,11-12H2
InChIKeyOYQZOVNFUBOKDI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.18
Rot. Bonds4

About 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole

1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (PubChem CID 15190535) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
PubChem CID15190535
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESc1cc(Cn2cccn2)cc(Cn2cccn2)c1
InChIInChI=1S/C14H14N4/c1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18/h1-10H,11-12H2
InChIKeyOYQZOVNFUBOKDI-UHFFFAOYSA-N
XLogP2.18
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (CID 15190535) is 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is c1cc(Cn2cccn2)cc(Cn2cccn2)c1.
What is the InChIKey of 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The InChIKey is OYQZOVNFUBOKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18/h1-10H,11-12H2.
What are the key properties of 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole has a molecular weight of 238.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 15190535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).