4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole

C14H13FN4 — CID 118864355

IUPAC4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESCc1cc(-c2cnn(Cc3ccn[nH]3)c2)ccc1F
InChIInChI=1S/C14H13FN4/c1-10-6-11(2-3-14(10)15)12-7-17-19(8-12)9-13-4-5-16-18-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyJUIQWZMUESSJRP-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.77
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole

4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864355) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864355
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESCc1cc(-c2cnn(Cc3ccn[nH]3)c2)ccc1F
InChIInChI=1S/C14H13FN4/c1-10-6-11(2-3-14(10)15)12-7-17-19(8-12)9-13-4-5-16-18-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyJUIQWZMUESSJRP-UHFFFAOYSA-N
XLogP2.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864355) is 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole is Cc1cc(-c2cnn(Cc3ccn[nH]3)c2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is JUIQWZMUESSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-10-6-11(2-3-14(10)15)12-7-17-19(8-12)9-13-4-5-16-18-13/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 256.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).