3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide

C19H20N4O3S — CID 122273925

IUPAC3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCn1nccc1-c1cncc(CNC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H20N4O3S/c1-23-18(7-9-22-23)16-11-15(12-20-14-16)13-21-19(24)8-10-27(25,26)17-5-3-2-4-6-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,21,24)
InChIKeyMWKLNTXQTNVIKR-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.96
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide

3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 122273925) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
PubChem CID122273925
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCn1nccc1-c1cncc(CNC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H20N4O3S/c1-23-18(7-9-22-23)16-11-15(12-20-14-16)13-21-19(24)8-10-27(25,26)17-5-3-2-4-6-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,21,24)
InChIKeyMWKLNTXQTNVIKR-UHFFFAOYSA-N
XLogP1.96
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine
CID 122274253

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide (CID 122273925) is 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide is Cn1nccc1-c1cncc(CNC(=O)CCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is MWKLNTXQTNVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-23-18(7-9-22-23)16-11-15(12-20-14-16)13-21-19(24)8-10-27(25,26)17-5-3-2-4-6-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,21,24).
What are the key properties of 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 122273925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).