1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C17H20N8O2 — CID 118792437

IUPAC1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1ccc(-c2nnn(C)n2)cc1NC(=O)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H20N8O2/c1-11-3-4-12(16-20-22-23(2)21-16)7-14(11)19-17(27)24-9-13-8-18-25(5-6-26)15(13)10-24/h3-4,7-8,26H,5-6,9-10H2,1-2H3,(H,19,27)
InChIKeyVNXNRIANEGORAL-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.92
Rot. Bonds4

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

1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 118792437) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID118792437
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1ccc(-c2nnn(C)n2)cc1NC(=O)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H20N8O2/c1-11-3-4-12(16-20-22-23(2)21-16)7-14(11)19-17(27)24-9-13-8-18-25(5-6-26)15(13)10-24/h3-4,7-8,26H,5-6,9-10H2,1-2H3,(H,19,27)
InChIKeyVNXNRIANEGORAL-UHFFFAOYSA-N
XLogP0.92
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 118792437) is 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is VNXNRIANEGORAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-11-3-4-12(16-20-22-23(2)21-16)7-14(11)19-17(27)24-9-13-8-18-25(5-6-26)15(13)10-24/h3-4,7-8,26H,5-6,9-10H2,1-2H3,(H,19,27).
What are the key properties of 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 118792437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).