N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide

C24H24F5N5O — CID 146676857

IUPACN-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide
SMILESCc1cn(Cc2c(F)cccc2F)nc1Cc1ccc(CNC(=O)C2CNNC2C(F)(F)F)cc1
InChIInChI=1S/C24H24F5N5O/c1-14-12-34(13-18-19(25)3-2-4-20(18)26)33-21(14)9-15-5-7-16(8-6-15)10-30-23(35)17-11-31-32-22(17)24(27,28)29/h2-8,12,17,22,31-32H,9-11,13H2,1H3,(H,30,35)
InChIKeyBOJUDYWVVILVSU-UHFFFAOYSA-N
MW493.48 g/mol
LogP3.38
Rot. Bonds7

About N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide

N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide (PubChem CID 146676857) has the molecular formula C24H24F5N5O and a molecular weight of 493.48 g/mol. Its IUPAC name is N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide
PubChem CID146676857
Molecular FormulaC24H24F5N5O
Molecular Weight493.48 g/mol
Exact Mass493.19
IUPAC NameN-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide
SMILESCc1cn(Cc2c(F)cccc2F)nc1Cc1ccc(CNC(=O)C2CNNC2C(F)(F)F)cc1
InChIInChI=1S/C24H24F5N5O/c1-14-12-34(13-18-19(25)3-2-4-20(18)26)33-21(14)9-15-5-7-16(8-6-15)10-30-23(35)17-11-31-32-22(17)24(27,28)29/h2-8,12,17,22,31-32H,9-11,13H2,1H3,(H,30,35)
InChIKeyBOJUDYWVVILVSU-UHFFFAOYSA-N
XLogP3.38
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide (CID 146676857) is N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide is Cc1cn(Cc2c(F)cccc2F)nc1Cc1ccc(CNC(=O)C2CNNC2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
The InChIKey is BOJUDYWVVILVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5O/c1-14-12-34(13-18-19(25)3-2-4-20(18)26)33-21(14)9-15-5-7-16(8-6-15)10-30-23(35)17-11-31-32-22(17)24(27,28)29/h2-8,12,17,22,31-32H,9-11,13H2,1H3,(H,30,35).
What are the key properties of N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide has a molecular weight of 493.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-[(2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 146676857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).