1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

C13H18N4OS — CID 119512490

IUPAC1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC3CCCN3)cc12
InChIInChI=1S/C13H18N4OS/c1-8-10-6-11(19-13(10)17(2)16-8)12(18)15-7-9-4-3-5-14-9/h6,9,14H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyFDJOFTVYVRAVIS-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.43
Rot. Bonds3

About 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119512490) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119512490
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC3CCCN3)cc12
InChIInChI=1S/C13H18N4OS/c1-8-10-6-11(19-13(10)17(2)16-8)12(18)15-7-9-4-3-5-14-9/h6,9,14H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyFDJOFTVYVRAVIS-UHFFFAOYSA-N
XLogP1.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119557464
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71870637
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N-(pyrrolidin-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119514663
N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 115649621
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 43241773
N-(2-amino-1-cyclohexylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119590742
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119514702
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 119512490) is 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCC3CCCN3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FDJOFTVYVRAVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-10-6-11(19-13(10)17(2)16-8)12(18)15-7-9-4-3-5-14-9/h6,9,14H,3-5,7H2,1-2H3,(H,15,18).
What are the key properties of 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119512490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).