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

Related Compounds

4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
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
4-(2-fluorophenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 141538430
N-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1-phenyl-1H-pyrazol-4-yl)ethanamine
CID 16190439
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 16192057
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192187
1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286593
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}propan-2-amine
CID 16187552
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190883
(3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-amine
CID 67977927
US10155727, Example 44
CID 118864198

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).