7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H12N6O — CID 90419541

IUPAC7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cn[nH]c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C13H12N6O/c1-7(2)10-11(9-4-15-16-5-9)18-12-8(3-14)6-17-19(12)13(10)20/h4-7,17H,1-2H3,(H,15,16)
InChIKeyPRSSPDYMRMFUDK-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.41
Rot. Bonds2

About 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90419541) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90419541
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cn[nH]c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C13H12N6O/c1-7(2)10-11(9-4-15-16-5-9)18-12-8(3-14)6-17-19(12)13(10)20/h4-7,17H,1-2H3,(H,15,16)
InChIKeyPRSSPDYMRMFUDK-UHFFFAOYSA-N
XLogP1.41
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90419541) is 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cn[nH]c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is PRSSPDYMRMFUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-7(2)10-11(9-4-15-16-5-9)18-12-8(3-14)6-17-19(12)13(10)20/h4-7,17H,1-2H3,(H,15,16).
What are the key properties of 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90419541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).