N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

C17H23N5OS — CID 91960467

IUPACN-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1nn(C(C)C)c2cnn(CCC(=O)N(C)Cc3cccs3)c12
InChIInChI=1S/C17H23N5OS/c1-12(2)22-15-10-18-21(17(15)13(3)19-22)8-7-16(23)20(4)11-14-6-5-9-24-14/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyMVZXRBPPKFBBQG-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.23
Rot. Bonds6

About N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide

N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 91960467) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID91960467
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1nn(C(C)C)c2cnn(CCC(=O)N(C)Cc3cccs3)c12
InChIInChI=1S/C17H23N5OS/c1-12(2)22-15-10-18-21(17(15)13(3)19-22)8-7-16(23)20(4)11-14-6-5-9-24-14/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyMVZXRBPPKFBBQG-UHFFFAOYSA-N
XLogP3.23
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960466
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CID 91960632
N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960269
N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960421
3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 91960578
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-cyclopropyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960546
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-methyl-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95759748
(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51985064
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 91960467) is N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is Cc1nn(C(C)C)c2cnn(CCC(=O)N(C)Cc3cccs3)c12.
What is the InChIKey of N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is MVZXRBPPKFBBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12(2)22-15-10-18-21(17(15)13(3)19-22)8-7-16(23)20(4)11-14-6-5-9-24-14/h5-6,9-10,12H,7-8,11H2,1-4H3.
What are the key properties of N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 91960467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).