N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine

C27H36FN5 — CID 42878126

IUPACN-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine
SMILESCCCN(CCc1ccccc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1
InChIInChI=1S/C27H36FN5/c1-4-15-31(16-14-23-8-6-5-7-9-23)21-26-22(2)29-33(25-12-10-24(28)11-13-25)27(26)32-19-17-30(3)18-20-32/h5-13H,4,14-21H2,1-3H3
InChIKeyUEYXBTGSRQADOC-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.53
Rot. Bonds9

About N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine

N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine (PubChem CID 42878126) has the molecular formula C27H36FN5 and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine
PubChem CID42878126
Molecular FormulaC27H36FN5
Molecular Weight449.62 g/mol
Exact Mass449.30
IUPAC NameN-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine
SMILESCCCN(CCc1ccccc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1
InChIInChI=1S/C27H36FN5/c1-4-15-31(16-14-23-8-6-5-7-9-23)21-26-22(2)29-33(25-12-10-24(28)11-13-25)27(26)32-19-17-30(3)18-20-32/h5-13H,4,14-21H2,1-3H3
InChIKeyUEYXBTGSRQADOC-UHFFFAOYSA-N
XLogP4.53
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.53
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-(pyridin-2-ylmethyl)propan-1-amine
CID 42878123
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
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-[(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
2-chloro-N-[[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-propylacetamide
CID 46078862
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(1-methylpyrrol-2-yl)methyl]cyclopropanamine
CID 42690427
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propylfuran-2-carboxamide
CID 42876655
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-pentyl-N-propylbenzamide
CID 46078009
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 42878063
3-fluoro-N-[[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42877689
N-[(2-chlorophenyl)methyl]-N-[[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]propan-2-amine
CID 42690401

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine (CID 42878126) is N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine is CCCN(CCc1ccccc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine?
The InChIKey is UEYXBTGSRQADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN5/c1-4-15-31(16-14-23-8-6-5-7-9-23)21-26-22(2)29-33(25-12-10-24(28)11-13-25)27(26)32-19-17-30(3)18-20-32/h5-13H,4,14-21H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine?
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine has a molecular weight of 449.62 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 42878126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).