N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C19H22ClFN4O — CID 86907070

IUPACN'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC(c1ccco1)N(C)C
InChIInChI=1S/C19H22ClFN4O/c1-13-16(11-22-12-17(24(2)3)18-5-4-10-26-18)19(20)25(23-13)15-8-6-14(21)7-9-15/h4-10,17,22H,11-12H2,1-3H3
InChIKeyOOLAUJVWCHFUCX-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.96
Rot. Bonds7

About N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 86907070) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID86907070
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC NameN'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC(c1ccco1)N(C)C
InChIInChI=1S/C19H22ClFN4O/c1-13-16(11-22-12-17(24(2)3)18-5-4-10-26-18)19(20)25(23-13)15-8-6-14(21)7-9-15/h4-10,17,22H,11-12H2,1-3H3
InChIKeyOOLAUJVWCHFUCX-UHFFFAOYSA-N
XLogP3.96
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 47009029
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103605184
4-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]butan-2-ol
CID 111336633
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43183533
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
N'-[(5-chloro-2-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 115761417
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 51145098
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 154741292
(1S)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1-(2,4-difluorophenyl)ethanamine
CID 8688723
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55786869

Frequently Asked Questions

What is the IUPAC name of N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 86907070) is N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC(c1ccco1)N(C)C.
What is the InChIKey of N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is OOLAUJVWCHFUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-13-16(11-22-12-17(24(2)3)18-5-4-10-26-18)19(20)25(23-13)15-8-6-14(21)7-9-15/h4-10,17,22H,11-12H2,1-3H3.
What are the key properties of N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 376.86 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 86907070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).