1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole

C14H13FN4 — CID 141155037

IUPAC1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole
SMILESCc1cc(-c2cn(-c3ccc(F)cc3)nc2C)n[nH]1
InChIInChI=1S/C14H13FN4/c1-9-7-14(17-16-9)13-8-19(18-10(13)2)12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H,16,17)
InChIKeyIGYVPCWVWLSLAP-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole

1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole (PubChem CID 141155037) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole
PubChem CID141155037
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole
SMILESCc1cc(-c2cn(-c3ccc(F)cc3)nc2C)n[nH]1
InChIInChI=1S/C14H13FN4/c1-9-7-14(17-16-9)13-8-19(18-10(13)2)12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H,16,17)
InChIKeyIGYVPCWVWLSLAP-UHFFFAOYSA-N
XLogP3.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.02
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
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
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 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole (CID 141155037) is 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole is Cc1cc(-c2cn(-c3ccc(F)cc3)nc2C)n[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole?
The InChIKey is IGYVPCWVWLSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9-7-14(17-16-9)13-8-19(18-10(13)2)12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole?
1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole has a molecular weight of 256.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyrazole is sourced from PubChem (CID 141155037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).