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

C17H19N5O2 — CID 90454607

IUPAC7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCC(=O)N1CC=C(c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)C1
InChIInChI=1S/C17H19N5O2/c1-4-13(23)21-6-5-11(9-21)15-14(10(2)3)17(24)22-16(20-15)12(7-18)8-19-22/h5,8,10,19H,4,6,9H2,1-3H3
InChIKeyHKVXSOQDBLJPKQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.65
Rot. Bonds3

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

7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454607) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454607
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCC(=O)N1CC=C(c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)C1
InChIInChI=1S/C17H19N5O2/c1-4-13(23)21-6-5-11(9-21)15-14(10(2)3)17(24)22-16(20-15)12(7-18)8-19-22/h5,8,10,19H,4,6,9H2,1-3H3
InChIKeyHKVXSOQDBLJPKQ-UHFFFAOYSA-N
XLogP1.65
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454607) is 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCC(=O)N1CC=C(c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)C1.
What is the InChIKey of 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HKVXSOQDBLJPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-13(23)21-6-5-11(9-21)15-14(10(2)3)17(24)22-16(20-15)12(7-18)8-19-22/h5,8,10,19H,4,6,9H2,1-3H3.
What are the key properties of 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-(1-propanoyl-2,5-dihydropyrrol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).