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

C24H32FN5O — CID 42878127

IUPACN-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccoc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1
InChIInChI=1S/C24H32FN5O/c1-4-10-28(16-20-9-15-31-18-20)17-23-19(2)26-30(22-7-5-21(25)6-8-22)24(23)29-13-11-27(3)12-14-29/h5-9,15,18H,4,10-14,16-17H2,1-3H3
InChIKeySTRAKSAUNYDAQJ-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.08
Rot. Bonds8

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

N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine (PubChem CID 42878127) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine
PubChem CID42878127
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC NameN-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccoc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1
InChIInChI=1S/C24H32FN5O/c1-4-10-28(16-20-9-15-31-18-20)17-23-19(2)26-30(22-7-5-21(25)6-8-22)24(23)29-13-11-27(3)12-14-29/h5-9,15,18H,4,10-14,16-17H2,1-3H3
InChIKeySTRAKSAUNYDAQJ-UHFFFAOYSA-N
XLogP4.08
TPSA40.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propylfuran-2-carboxamide
CID 42876655
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-[[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]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
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-(furan-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine (CID 42878127) is N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)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-(furan-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine is CCCN(Cc1ccoc1)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-(furan-3-ylmethyl)propan-1-amine?
The InChIKey is STRAKSAUNYDAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-4-10-28(16-20-9-15-31-18-20)17-23-19(2)26-30(22-7-5-21(25)6-8-22)24(23)29-13-11-27(3)12-14-29/h5-9,15,18H,4,10-14,16-17H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine?
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-1-amine has a molecular weight of 425.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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-(furan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 42878127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).