N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine

C23H23F2N5 — CID 25380231

IUPACN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)CCc1cn[nH]c1
InChIInChI=1S/C23H23F2N5/c1-16-5-3-4-6-20(16)23-18(14-29(2)10-9-17-12-26-27-13-17)15-30(28-23)22-8-7-19(24)11-21(22)25/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,26,27)
InChIKeyUTMROGFDOCHYPW-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.52
Rot. Bonds7

About N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine

N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine (PubChem CID 25380231) has the molecular formula C23H23F2N5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
PubChem CID25380231
Molecular FormulaC23H23F2N5
Molecular Weight407.47 g/mol
Exact Mass407.19
IUPAC NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)CCc1cn[nH]c1
InChIInChI=1S/C23H23F2N5/c1-16-5-3-4-6-20(16)23-18(14-29(2)10-9-17-12-26-27-13-17)15-30(28-23)22-8-7-19(24)11-21(22)25/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,26,27)
InChIKeyUTMROGFDOCHYPW-UHFFFAOYSA-N
XLogP4.52
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12106168
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CID 24821653
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
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5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
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
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1-phenylpyrazole
CID 136044103
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
2-[4-(3,4-Difluoro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 11807788
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine (CID 25380231) is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine is Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)CCc1cn[nH]c1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is UTMROGFDOCHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5/c1-16-5-3-4-6-20(16)23-18(14-29(2)10-9-17-12-26-27-13-17)15-30(28-23)22-8-7-19(24)11-21(22)25/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,26,27).
What are the key properties of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 407.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 25380231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).