N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide

C19H26N4OS — CID 91764030

IUPACN-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)CSCCN1CCCC1
InChIInChI=1S/C19H26N4OS/c1-21(19(24)16-25-14-13-22-10-4-5-11-22)15-17-7-2-3-8-18(17)23-12-6-9-20-23/h2-3,6-9,12H,4-5,10-11,13-16H2,1H3
InChIKeyNLSXJVQGILEFMI-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.66
Rot. Bonds8

About N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide

N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide (PubChem CID 91764030) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
PubChem CID91764030
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)CSCCN1CCCC1
InChIInChI=1S/C19H26N4OS/c1-21(19(24)16-25-14-13-22-10-4-5-11-22)15-17-7-2-3-8-18(17)23-12-6-9-20-23/h2-3,6-9,12H,4-5,10-11,13-16H2,1H3
InChIKeyNLSXJVQGILEFMI-UHFFFAOYSA-N
XLogP2.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
N-methyl-2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 56711429
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91793396
N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 72923212
1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 70721590
2-[2-(azepan-1-yl)ethylsulfanyl]-N,N-diphenylacetamide
CID 134064776
(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol
CID 95141112
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 30827481
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 55415811

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The IUPAC name of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide (CID 91764030) is N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The canonical SMILES for N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide is CN(Cc1ccccc1-n1cccn1)C(=O)CSCCN1CCCC1.
What is the InChIKey of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The InChIKey is NLSXJVQGILEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-21(19(24)16-25-14-13-22-10-4-5-11-22)15-17-7-2-3-8-18(17)23-12-6-9-20-23/h2-3,6-9,12H,4-5,10-11,13-16H2,1H3.
What are the key properties of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide is sourced from PubChem (CID 91764030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).