(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide

C15H19N5OS — CID 51985064

IUPAC(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1nn(C)c2cn([C@@H](C)C(=O)N(C)Cc3cccs3)nc12
InChIInChI=1S/C15H19N5OS/c1-10-14-13(19(4)16-10)9-20(17-14)11(2)15(21)18(3)8-12-6-5-7-22-12/h5-7,9,11H,8H2,1-4H3/t11-/m0/s1
InChIKeyHYMVJDKKQJKKNJ-NSHDSACASA-N
MW317.42 g/mol
LogP2.36
Rot. Bonds4

About (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 51985064) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID51985064
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1nn(C)c2cn([C@@H](C)C(=O)N(C)Cc3cccs3)nc12
InChIInChI=1S/C15H19N5OS/c1-10-14-13(19(4)16-10)9-20(17-14)11(2)15(21)18(3)8-12-6-5-7-22-12/h5-7,9,11H,8H2,1-4H3/t11-/m0/s1
InChIKeyHYMVJDKKQJKKNJ-NSHDSACASA-N
XLogP2.36
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 56686259
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91960467
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
4-amino-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65355621
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18169936
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 97416221
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
N-methyl-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95759748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide (CID 51985064) is (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide is Cc1nn(C)c2cn([C@@H](C)C(=O)N(C)Cc3cccs3)nc12.
What is the InChIKey of (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HYMVJDKKQJKKNJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-14-13(19(4)16-10)9-20(17-14)11(2)15(21)18(3)8-12-6-5-7-22-12/h5-7,9,11H,8H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 317.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 51985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).