4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole

C19H16N4 — CID 17470110

IUPAC4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2Cn2ccnc2)cc1
InChIInChI=1S/C19H16N4/c1-3-7-16(8-4-1)19-17(13-22-12-11-20-15-22)14-23(21-19)18-9-5-2-6-10-18/h1-12,14-15H,13H2
InChIKeyNNUIEEDVJFTBCC-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.78
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole

4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole (PubChem CID 17470110) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole
PubChem CID17470110
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2Cn2ccnc2)cc1
InChIInChI=1S/C19H16N4/c1-3-7-16(8-4-1)19-17(13-22-12-11-20-15-22)14-23(21-19)18-9-5-2-6-10-18/h1-12,14-15H,13H2
InChIKeyNNUIEEDVJFTBCC-UHFFFAOYSA-N
XLogP3.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole (CID 17470110) is 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole is c1ccc(-c2nn(-c3ccccc3)cc2Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole?
The InChIKey is NNUIEEDVJFTBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-3-7-16(8-4-1)19-17(13-22-12-11-20-15-22)14-23(21-19)18-9-5-2-6-10-18/h1-12,14-15H,13H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole?
4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole has a molecular weight of 300.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1,3-diphenylpyrazole is sourced from PubChem (CID 17470110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).