5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C9H8N4O2 — CID 118908453

IUPAC5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1c(CO)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C9H8N4O2/c1-5-7(4-14)12-8-6(2-10)3-11-13(8)9(5)15/h3,11,14H,4H2,1H3
InChIKeyBVAGUKKBCACSAK-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.31
Rot. Bonds1

About 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 118908453) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID118908453
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1c(CO)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C9H8N4O2/c1-5-7(4-14)12-8-6(2-10)3-11-13(8)9(5)15/h3,11,14H,4H2,1H3
InChIKeyBVAGUKKBCACSAK-UHFFFAOYSA-N
XLogP-0.31
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 118908453) is 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1c(CO)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BVAGUKKBCACSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-5-7(4-14)12-8-6(2-10)3-11-13(8)9(5)15/h3,11,14H,4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 204.19 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 118908453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).