N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide

C27H25N3OS — CID 40868689

IUPACN-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCc1cccc(-n2nc3c(c2NC(=O)CC(c2ccccc2)c2ccccc2)CSC3)c1
InChIInChI=1S/C27H25N3OS/c1-19-9-8-14-22(15-19)30-27(24-17-32-18-25(24)29-30)28-26(31)16-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23H,16-18H2,1H3,(H,28,31)
InChIKeyMQIARMOOXPJFES-UHFFFAOYSA-N
MW439.58 g/mol
LogP6.09
Rot. Bonds6

About N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide

N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide (PubChem CID 40868689) has the molecular formula C27H25N3OS and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide
PubChem CID40868689
Molecular FormulaC27H25N3OS
Molecular Weight439.58 g/mol
Exact Mass439.17
IUPAC NameN-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCc1cccc(-n2nc3c(c2NC(=O)CC(c2ccccc2)c2ccccc2)CSC3)c1
InChIInChI=1S/C27H25N3OS/c1-19-9-8-14-22(15-19)30-27(24-17-32-18-25(24)29-30)28-26(31)16-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23H,16-18H2,1H3,(H,28,31)
InChIKeyMQIARMOOXPJFES-UHFFFAOYSA-N
XLogP6.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
CID 4547207
N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide
CID 40868798
2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 3407730
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665
(2R)-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide
CID 7096440
2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556
1-(4-chlorophenyl)-3-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]urea
CID 5064920
4-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 121030529
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
CID 4166012
1-(3-methylphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973902
2-chloro-4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030527
2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7484023

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide (CID 40868689) is N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide is Cc1cccc(-n2nc3c(c2NC(=O)CC(c2ccccc2)c2ccccc2)CSC3)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide?
The InChIKey is MQIARMOOXPJFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3OS/c1-19-9-8-14-22(15-19)30-27(24-17-32-18-25(24)29-30)28-26(31)16-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23H,16-18H2,1H3,(H,28,31).
What are the key properties of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide?
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide has a molecular weight of 439.58 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 40868689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).