N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

C14H18N4OS — CID 97461988

IUPACN,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(Cc1cccs1)C2
InChIInChI=1S/C14H18N4OS/c1-16(2)14(19)13-11-8-18(7-10-5-4-6-20-10)9-12(11)17(3)15-13/h4-6H,7-9H2,1-3H3
InChIKeyZENLPJXMMZXNME-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.70
Rot. Bonds3

About N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97461988) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97461988
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(Cc1cccs1)C2
InChIInChI=1S/C14H18N4OS/c1-16(2)14(19)13-11-8-18(7-10-5-4-6-20-10)9-12(11)17(3)15-13/h4-6H,7-9H2,1-3H3
InChIKeyZENLPJXMMZXNME-UHFFFAOYSA-N
XLogP1.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97461988) is N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1CN(Cc1cccs1)C2.
What is the InChIKey of N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is ZENLPJXMMZXNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-16(2)14(19)13-11-8-18(7-10-5-4-6-20-10)9-12(11)17(3)15-13/h4-6H,7-9H2,1-3H3.
What are the key properties of N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97461988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).