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

C16H18N6O — CID 90454664

IUPAC7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,19H,1-4H3
InChIKeyKCPPSSGMMHFBPG-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.46
Rot. Bonds3

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

7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454664) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454664
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,19H,1-4H3
InChIKeyKCPPSSGMMHFBPG-UHFFFAOYSA-N
XLogP2.46
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454664) is 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cnn(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KCPPSSGMMHFBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,19H,1-4H3.
What are the key properties of 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).