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

C21H35N5O — CID 91960258

IUPACN-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCc1nn(C)c2cnn(CCC(=O)NC3CCCCCCCCCCC3)c12
InChIInChI=1S/C21H35N5O/c1-17-21-19(25(2)24-17)16-22-26(21)15-14-20(27)23-18-12-10-8-6-4-3-5-7-9-11-13-18/h16,18H,3-15H2,1-2H3,(H,23,27)
InChIKeyHPUZBMDUNPNYPR-UHFFFAOYSA-N
MW373.55 g/mol
LogP4.26
Rot. Bonds4

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

N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (PubChem CID 91960258) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
PubChem CID91960258
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC NameN-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCc1nn(C)c2cnn(CCC(=O)NC3CCCCCCCCCCC3)c12
InChIInChI=1S/C21H35N5O/c1-17-21-19(25(2)24-17)16-22-26(21)15-14-20(27)23-18-12-10-8-6-4-3-5-7-9-11-13-18/h16,18H,3-15H2,1-2H3,(H,23,27)
InChIKeyHPUZBMDUNPNYPR-UHFFFAOYSA-N
XLogP4.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960546
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91960276
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 91960181
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 91960246
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 91960239
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960266
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19543732
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551987
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
1-[3-(cycloheptylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066145

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The IUPAC name of N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (CID 91960258) is N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The canonical SMILES for N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is Cc1nn(C)c2cnn(CCC(=O)NC3CCCCCCCCCCC3)c12.
What is the InChIKey of N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The InChIKey is HPUZBMDUNPNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-17-21-19(25(2)24-17)16-22-26(21)15-14-20(27)23-18-12-10-8-6-4-3-5-7-9-11-13-18/h16,18H,3-15H2,1-2H3,(H,23,27).
What are the key properties of N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide has a molecular weight of 373.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is sourced from PubChem (CID 91960258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).