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

C19H25ClN4O — CID 71709230

IUPAC2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1c(-c2ccc(Cl)cc2)n[nH]c1C
InChIInChI=1S/C19H25ClN4O/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)
InChIKeyHQRFMXWBGBYVIS-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.18
Rot. Bonds6

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

2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 71709230) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID71709230
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1c(-c2ccc(Cl)cc2)n[nH]c1C
InChIInChI=1S/C19H25ClN4O/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)
InChIKeyHQRFMXWBGBYVIS-UHFFFAOYSA-N
XLogP3.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 71709230) is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)Cc1c(-c2ccc(Cl)cc2)n[nH]c1C.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is HQRFMXWBGBYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/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 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 360.89 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 71709230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).