3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide

C22H29N5O — CID 91960181

IUPAC3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide
SMILESCc1nn(C)c2cnn(CCC(=O)NCC3(c4ccccc4)CCCCC3)c12
InChIInChI=1S/C22H29N5O/c1-17-21-19(26(2)25-17)15-24-27(21)14-11-20(28)23-16-22(12-7-4-8-13-22)18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14,16H2,1-2H3,(H,23,28)
InChIKeyUOPYKTWBRKLXNJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.49
Rot. Bonds6

About 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide (PubChem CID 91960181) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide
PubChem CID91960181
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide
SMILESCc1nn(C)c2cnn(CCC(=O)NCC3(c4ccccc4)CCCCC3)c12
InChIInChI=1S/C22H29N5O/c1-17-21-19(26(2)25-17)15-24-27(21)14-11-20(28)23-16-22(12-7-4-8-13-22)18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14,16H2,1-2H3,(H,23,28)
InChIKeyUOPYKTWBRKLXNJ-UHFFFAOYSA-N
XLogP3.49
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide 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

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91960276
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 60577994
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960269
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 24597399
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide (CID 91960181) is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide is Cc1nn(C)c2cnn(CCC(=O)NCC3(c4ccccc4)CCCCC3)c12.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide?
The InChIKey is UOPYKTWBRKLXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-21-19(26(2)25-17)15-24-27(21)14-11-20(28)23-16-22(12-7-4-8-13-22)18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14,16H2,1-2H3,(H,23,28).
What are the key properties of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide?
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide has a molecular weight of 379.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 91960181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).