dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium

C23H25N4OS+ — CID 8936421

IUPACdimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc12
InChIInChI=1S/C23H24N4OS/c1-16-19-14-21(29-23(19)27(25-16)18-12-8-5-9-13-18)22(28)24-20(15-26(2)3)17-10-6-4-7-11-17/h4-14,20H,15H2,1-3H3,(H,24,28)/p+1/t20-/m0/s1
InChIKeyHOBWYKABDPTJIB-FQEVSTJZSA-O
MW405.55 g/mol
LogP3.01
Rot. Bonds6

About dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium

dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium (PubChem CID 8936421) has the molecular formula C23H25N4OS+ and a molecular weight of 405.55 g/mol. Its IUPAC name is dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium
PubChem CID8936421
Molecular FormulaC23H25N4OS+
Molecular Weight405.55 g/mol
Exact Mass405.17
IUPAC Namedimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc12
InChIInChI=1S/C23H24N4OS/c1-16-19-14-21(29-23(19)27(25-16)18-12-8-5-9-13-18)22(28)24-20(15-26(2)3)17-10-6-4-7-11-17/h4-14,20H,15H2,1-3H3,(H,24,28)/p+1/t20-/m0/s1
InChIKeyHOBWYKABDPTJIB-FQEVSTJZSA-O
XLogP3.01
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium with MolForge

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Related Compounds

3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24505123
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
1-(4-fluorophenyl)-3-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 95053217
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 44823985
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 8664409
2-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 119199736

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium?
The IUPAC name of dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium (CID 8936421) is dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium.
What is the SMILES notation for dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium?
The canonical SMILES for dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium is Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc12.
What is the InChIKey of dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium?
The InChIKey is HOBWYKABDPTJIB-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H24N4OS/c1-16-19-14-21(29-23(19)27(25-16)18-12-8-5-9-13-18)22(28)24-20(15-26(2)3)17-10-6-4-7-11-17/h4-14,20H,15H2,1-3H3,(H,24,28)/p+1/t20-/m0/s1.
What are the key properties of dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium?
dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium has a molecular weight of 405.55 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium is sourced from PubChem (CID 8936421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).