5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine

C14H13FN4 — CID 175460069

IUPAC5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine
SMILESCc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c[nH]1
InChIInChI=1S/C14H13FN4/c1-9-5-10(6-16-9)12-8-19(2)18-14(12)13-4-3-11(15)7-17-13/h3-8,16H,1-2H3
InChIKeyJUAXGWIWUYJWPN-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.92
Rot. Bonds2

About 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine

5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine (PubChem CID 175460069) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine
PubChem CID175460069
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine
SMILESCc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c[nH]1
InChIInChI=1S/C14H13FN4/c1-9-5-10(6-16-9)12-8-19(2)18-14(12)13-4-3-11(15)7-17-13/h3-8,16H,1-2H3
InChIKeyJUAXGWIWUYJWPN-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
CID 162760935
N-[[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 83128228
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
CID 73293375
lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
CID 162760827
4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole
CID 174923428
5-fluoro-2-(3,4,5-trichlorophenyl)pyridine
CID 133090365
6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
CID 167125915
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
CID 175920695
3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
CID 83222696
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 90465127

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine (CID 175460069) is 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine is Cc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c[nH]1.
What is the InChIKey of 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine?
The InChIKey is JUAXGWIWUYJWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9-5-10(6-16-9)12-8-19(2)18-14(12)13-4-3-11(15)7-17-13/h3-8,16H,1-2H3.
What are the key properties of 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine?
5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine has a molecular weight of 256.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 175460069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).