N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C25H28FN5O — CID 28732200

IUPACN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCc2cnn(C)c2)cc1F
InChIInChI=1S/C25H28FN5O/c1-18-7-5-6-8-23(18)31-17-21(16-29(2)12-11-19-14-27-30(3)15-19)25(28-31)20-9-10-24(32-4)22(26)13-20/h5-10,13-15,17H,11-12,16H2,1-4H3
InChIKeyHTYSBQPFIDGHTM-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.40
Rot. Bonds8

About N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 28732200) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID28732200
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC NameN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCc2cnn(C)c2)cc1F
InChIInChI=1S/C25H28FN5O/c1-18-7-5-6-8-23(18)31-17-21(16-29(2)12-11-19-14-27-30(3)15-19)25(28-31)20-9-10-24(32-4)22(26)13-20/h5-10,13-15,17H,11-12,16H2,1-4H3
InChIKeyHTYSBQPFIDGHTM-UHFFFAOYSA-N
XLogP4.40
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
Jnj-42259152
CID 51353528
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6890368
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 28732200) is N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCc2cnn(C)c2)cc1F.
What is the InChIKey of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is HTYSBQPFIDGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-18-7-5-6-8-23(18)31-17-21(16-29(2)12-11-19-14-27-30(3)15-19)25(28-31)20-9-10-24(32-4)22(26)13-20/h5-10,13-15,17H,11-12,16H2,1-4H3.
What are the key properties of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 433.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 28732200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).