N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

C15H20N4OS — CID 97461989

IUPACN,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc(CN2Cc3c(C(=O)N(C)C)nn(C)c3C2)s1
InChIInChI=1S/C15H20N4OS/c1-10-5-6-11(21-10)7-19-8-12-13(9-19)18(4)16-14(12)15(20)17(2)3/h5-6H,7-9H2,1-4H3
InChIKeyWPWXZMNHSYBVID-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.01
Rot. Bonds3

About N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97461989) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97461989
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc(CN2Cc3c(C(=O)N(C)C)nn(C)c3C2)s1
InChIInChI=1S/C15H20N4OS/c1-10-5-6-11(21-10)7-19-8-12-13(9-19)18(4)16-14(12)15(20)17(2)3/h5-6H,7-9H2,1-4H3
InChIKeyWPWXZMNHSYBVID-UHFFFAOYSA-N
XLogP2.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.01
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-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97461989) is N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is Cc1ccc(CN2Cc3c(C(=O)N(C)C)nn(C)c3C2)s1.
What is the InChIKey of N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is WPWXZMNHSYBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-5-6-11(21-10)7-19-8-12-13(9-19)18(4)16-14(12)15(20)17(2)3/h5-6H,7-9H2,1-4H3.
What are the key properties of N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.01, 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-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97461989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).