3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide

C25H23FN4O — CID 71796623

IUPAC3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C25H23FN4O/c1-29-24(17-23(28-29)20-10-12-21(26)13-11-20)25(31)30(18-22-9-5-6-15-27-22)16-14-19-7-3-2-4-8-19/h2-13,15,17H,14,16,18H2,1H3
InChIKeySMCQLYCYGFPOJL-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.51
Rot. Bonds7

About 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 71796623) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID71796623
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C25H23FN4O/c1-29-24(17-23(28-29)20-10-12-21(26)13-11-20)25(31)30(18-22-9-5-6-15-27-22)16-14-19-7-3-2-4-8-19/h2-13,15,17H,14,16,18H2,1H3
InChIKeySMCQLYCYGFPOJL-UHFFFAOYSA-N
XLogP4.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide (CID 71796623) is 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is SMCQLYCYGFPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-29-24(17-23(28-29)20-10-12-21(26)13-11-20)25(31)30(18-22-9-5-6-15-27-22)16-14-19-7-3-2-4-8-19/h2-13,15,17H,14,16,18H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71796623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).