3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide

C18H23N3O3S — CID 90604624

IUPAC3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C18H23N3O3S/c1-21-12-15(17(20-21)23-2)16(22)19-13-18(8-10-24-11-9-18)25-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)
InChIKeyOQPXCPJWFHYZTM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.50
Rot. Bonds6

About 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 90604624) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID90604624
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C18H23N3O3S/c1-21-12-15(17(20-21)23-2)16(22)19-13-18(8-10-24-11-9-18)25-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)
InChIKeyOQPXCPJWFHYZTM-UHFFFAOYSA-N
XLogP2.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72719907
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994
2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 90523291
2-ethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604592
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
4-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxane-4-carboxamide
CID 90604708
N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604824
1-cyclopropyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604890
3-(2-chlorophenyl)-5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72717000
1-benzhydryl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717034
N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604856

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide (CID 90604624) is 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC1(Sc2ccccc2)CCOCC1.
What is the InChIKey of 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is OQPXCPJWFHYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21-12-15(17(20-21)23-2)16(22)19-13-18(8-10-24-11-9-18)25-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3,(H,19,22).
What are the key properties of 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90604624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).