3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide

C19H23N5O2S — CID 131689279

IUPAC3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide
SMILESCn1nc(CNC(=O)C2(C#N)CCCC2)c2cc(C(=O)NC3CCC3)sc21
InChIInChI=1S/C19H23N5O2S/c1-24-17-13(9-15(27-17)16(25)22-12-5-4-6-12)14(23-24)10-21-18(26)19(11-20)7-2-3-8-19/h9,12H,2-8,10H2,1H3,(H,21,26)(H,22,25)
InChIKeyHVTMNVONFCVLFG-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.62
Rot. Bonds5

About 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide

3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 131689279) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide
PubChem CID131689279
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide
SMILESCn1nc(CNC(=O)C2(C#N)CCCC2)c2cc(C(=O)NC3CCC3)sc21
InChIInChI=1S/C19H23N5O2S/c1-24-17-13(9-15(27-17)16(25)22-12-5-4-6-12)14(23-24)10-21-18(26)19(11-20)7-2-3-8-19/h9,12H,2-8,10H2,1H3,(H,21,26)(H,22,25)
InChIKeyHVTMNVONFCVLFG-UHFFFAOYSA-N
XLogP2.62
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide (CID 131689279) is 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide is Cn1nc(CNC(=O)C2(C#N)CCCC2)c2cc(C(=O)NC3CCC3)sc21.
What is the InChIKey of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is HVTMNVONFCVLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-24-17-13(9-15(27-17)16(25)22-12-5-4-6-12)14(23-24)10-21-18(26)19(11-20)7-2-3-8-19/h9,12H,2-8,10H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 131689279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).