2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

C20H23N5OS — CID 167791292

IUPAC2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)c3c(CN)nn4c3CCC4)nc2C)cc1
InChIInChI=1S/C20H23N5OS/c1-12-5-7-14(8-6-12)10-17-13(2)22-20(27-17)23-19(26)18-15(11-21)24-25-9-3-4-16(18)25/h5-8H,3-4,9-11,21H2,1-2H3,(H,22,23,26)
InChIKeyHOPHZLKIUKWORJ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.20
Rot. Bonds5

About 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (PubChem CID 167791292) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
PubChem CID167791292
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)c3c(CN)nn4c3CCC4)nc2C)cc1
InChIInChI=1S/C20H23N5OS/c1-12-5-7-14(8-6-12)10-17-13(2)22-20(27-17)23-19(26)18-15(11-21)24-25-9-3-4-16(18)25/h5-8H,3-4,9-11,21H2,1-2H3,(H,22,23,26)
InChIKeyHOPHZLKIUKWORJ-UHFFFAOYSA-N
XLogP3.20
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 87026694
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55958332
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
CID 87026704
2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 166395027
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55896068
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (CID 167791292) is 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is Cc1ccc(Cc2sc(NC(=O)c3c(CN)nn4c3CCC4)nc2C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is HOPHZLKIUKWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-12-5-7-14(8-6-12)10-17-13(2)22-20(27-17)23-19(26)18-15(11-21)24-25-9-3-4-16(18)25/h5-8H,3-4,9-11,21H2,1-2H3,(H,22,23,26).
What are the key properties of 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 167791292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).