N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

C19H25FN4O — CID 71710246

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C
InChIInChI=1S/C19H25FN4O/c1-3-24-10-4-5-16(24)12-21-18(25)11-17-13(2)22-23-19(17)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHRHUFYDCOPJHIY-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.67
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 71710246) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID71710246
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C
InChIInChI=1S/C19H25FN4O/c1-3-24-10-4-5-16(24)12-21-18(25)11-17-13(2)22-23-19(17)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHRHUFYDCOPJHIY-UHFFFAOYSA-N
XLogP2.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (CID 71710246) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is CCN1CCCC1CNC(=O)Cc1c(-c2ccc(F)cc2)n[nH]c1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is HRHUFYDCOPJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-3-24-10-4-5-16(24)12-21-18(25)11-17-13(2)22-23-19(17)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 71710246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).