4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole

C19H22FN5 — CID 134329132

IUPAC4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole
SMILESCc1cc(C2CCCN2C)cc(F)c1-c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C19H22FN5/c1-12-7-13(18-5-4-6-24(18)2)8-15(20)19(12)17-9-16(22-23-17)14-10-21-25(3)11-14/h7-11,18H,4-6H2,1-3H3,(H,22,23)
InChIKeyHHIAXUBBIBGHRD-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.69
Rot. Bonds3

About 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole

4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole (PubChem CID 134329132) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole
PubChem CID134329132
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole
SMILESCc1cc(C2CCCN2C)cc(F)c1-c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C19H22FN5/c1-12-7-13(18-5-4-6-24(18)2)8-15(20)19(12)17-9-16(22-23-17)14-10-21-25(3)11-14/h7-11,18H,4-6H2,1-3H3,(H,22,23)
InChIKeyHHIAXUBBIBGHRD-UHFFFAOYSA-N
XLogP3.69
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
The IUPAC name of 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole (CID 134329132) is 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole.
What is the SMILES notation for 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
The canonical SMILES for 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole is Cc1cc(C2CCCN2C)cc(F)c1-c1cc(-c2cnn(C)c2)n[nH]1.
What is the InChIKey of 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
The InChIKey is HHIAXUBBIBGHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-12-7-13(18-5-4-6-24(18)2)8-15(20)19(12)17-9-16(22-23-17)14-10-21-25(3)11-14/h7-11,18H,4-6H2,1-3H3,(H,22,23).
What are the key properties of 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole?
4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole has a molecular weight of 339.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-1H-pyrazol-3-yl]-1-methylpyrazole is sourced from PubChem (CID 134329132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).