1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole

C14H14N4 — CID 118864228

IUPAC1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
SMILESCn1nccc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H14N4/c1-17-14(7-8-15-17)11-18-10-13(9-16-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyIVQOSXHMIKOTIP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.33
Rot. Bonds3

About 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole

1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole (PubChem CID 118864228) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
PubChem CID118864228
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
SMILESCn1nccc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H14N4/c1-17-14(7-8-15-17)11-18-10-13(9-16-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyIVQOSXHMIKOTIP-UHFFFAOYSA-N
XLogP2.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole (CID 118864228) is 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole is Cn1nccc1Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is IVQOSXHMIKOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-17-14(7-8-15-17)11-18-10-13(9-16-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 238.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 118864228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).