N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine

C26H32F3N5 — CID 42690426

IUPACN-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(Cc1ccc(F)c(F)c1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1
InChIInChI=1S/C26H32F3N5/c1-4-11-32(17-20-5-10-24(28)25(29)16-20)18-23-19(2)30-34(22-8-6-21(27)7-9-22)26(23)33-14-12-31(3)13-15-33/h5-10,16H,4,11-15,17-18H2,1-3H3
InChIKeySLWQDVNIHZRCFU-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.76
Rot. Bonds8

About N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine

N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 42690426) has the molecular formula C26H32F3N5 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID42690426
Molecular FormulaC26H32F3N5
Molecular Weight471.57 g/mol
Exact Mass471.26
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(Cc1ccc(F)c(F)c1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1
InChIInChI=1S/C26H32F3N5/c1-4-11-32(17-20-5-10-24(28)25(29)16-20)18-23-19(2)30-34(22-8-6-21(27)7-9-22)26(23)33-14-12-31(3)13-15-33/h5-10,16H,4,11-15,17-18H2,1-3H3
InChIKeySLWQDVNIHZRCFU-UHFFFAOYSA-N
XLogP4.76
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine
CID 42878127
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine
CID 42878126
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 42878123
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 42690436
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 46080849
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 42878063
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propylfuran-2-carboxamide
CID 42876655
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(1-methylpyrrol-2-yl)methyl]cyclopropanamine
CID 42690427
2-chloro-N-[[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-propylacetamide
CID 46078862
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 42876329
4-fluoro-N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 42877701

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine (CID 42690426) is N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine is CCCN(Cc1ccc(F)c(F)c1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is SLWQDVNIHZRCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5/c1-4-11-32(17-20-5-10-24(28)25(29)16-20)18-23-19(2)30-34(22-8-6-21(27)7-9-22)26(23)33-14-12-31(3)13-15-33/h5-10,16H,4,11-15,17-18H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 471.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 42690426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).