2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide

C25H29FN4O — CID 45243455

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C25H29FN4O/c1-18-23(19(2)30(28-18)22-11-4-3-5-12-22)15-25(31)27-21-10-8-14-29(17-21)16-20-9-6-7-13-24(20)26/h3-7,9,11-13,21H,8,10,14-17H2,1-2H3,(H,27,31)
InChIKeyIYFUYGMCDZTTEV-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.95
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 45243455) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
PubChem CID45243455
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C25H29FN4O/c1-18-23(19(2)30(28-18)22-11-4-3-5-12-22)15-25(31)27-21-10-8-14-29(17-21)16-20-9-6-7-13-24(20)26/h3-7,9,11-13,21H,8,10,14-17H2,1-2H3,(H,27,31)
InChIKeyIYFUYGMCDZTTEV-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide (CID 45243455) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is IYFUYGMCDZTTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-18-23(19(2)30(28-18)22-11-4-3-5-12-22)15-25(31)27-21-10-8-14-29(17-21)16-20-9-6-7-13-24(20)26/h3-7,9,11-13,21H,8,10,14-17H2,1-2H3,(H,27,31).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 45243455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).