1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole

C14H13FN4 — CID 86781012

IUPAC1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole
SMILESCc1ccn(Cc2ccn(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C14H13FN4/c1-11-6-8-18(16-11)10-13-7-9-19(17-13)14-4-2-12(15)3-5-14/h2-9H,10H2,1H3
InChIKeyUDQCAXXKWNJJKP-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole

1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole (PubChem CID 86781012) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole
PubChem CID86781012
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole
SMILESCc1ccn(Cc2ccn(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C14H13FN4/c1-11-6-8-18(16-11)10-13-7-9-19(17-13)14-4-2-12(15)3-5-14/h2-9H,10H2,1H3
InChIKeyUDQCAXXKWNJJKP-UHFFFAOYSA-N
XLogP2.56
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole (CID 86781012) is 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole is Cc1ccn(Cc2ccn(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is UDQCAXXKWNJJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-11-6-8-18(16-11)10-13-7-9-19(17-13)14-4-2-12(15)3-5-14/h2-9H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole?
1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 256.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 86781012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).