N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C24H21FN4O — CID 2810789

IUPACN-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)Cc2cccnc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O/c1-18-23(15-27-29(18)22-11-9-21(25)10-12-22)24(30)28(16-19-6-3-2-4-7-19)17-20-8-5-13-26-14-20/h2-15H,16-17H2,1H3
InChIKeyHGHDJRDSRGIDQI-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.56
Rot. Bonds6

About N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 2810789) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID2810789
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC NameN-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)Cc2cccnc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O/c1-18-23(15-27-29(18)22-11-9-21(25)10-12-22)24(30)28(16-19-6-3-2-4-7-19)17-20-8-5-13-26-14-20/h2-15H,16-17H2,1H3
InChIKeyHGHDJRDSRGIDQI-UHFFFAOYSA-N
XLogP4.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 2810789) is N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(Cc2ccccc2)Cc2cccnc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HGHDJRDSRGIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-18-23(15-27-29(18)22-11-9-21(25)10-12-22)24(30)28(16-19-6-3-2-4-7-19)17-20-8-5-13-26-14-20/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2810789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).