2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C17H21N3OS — CID 70786327

IUPAC2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)CSCC1CC1
InChIInChI=1S/C17H21N3OS/c1-19(17(21)13-22-12-15-3-4-15)11-14-5-7-16(8-6-14)20-10-2-9-18-20/h2,5-10,15H,3-4,11-13H2,1H3
InChIKeyQEPMFZVYPRCQSB-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.97
Rot. Bonds7

About 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 70786327) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID70786327
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)CSCC1CC1
InChIInChI=1S/C17H21N3OS/c1-19(17(21)13-22-12-15-3-4-15)11-14-5-7-16(8-6-14)20-10-2-9-18-20/h2,5-10,15H,3-4,11-13H2,1H3
InChIKeyQEPMFZVYPRCQSB-UHFFFAOYSA-N
XLogP2.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
(9R)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165463
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 70736931
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 70786327) is 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is CN(Cc1ccc(-n2cccn2)cc1)C(=O)CSCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is QEPMFZVYPRCQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19(17(21)13-22-12-15-3-4-15)11-14-5-7-16(8-6-14)20-10-2-9-18-20/h2,5-10,15H,3-4,11-13H2,1H3.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 70786327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).