5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H22N6O2 — CID 110118468

IUPAC5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCn1ccc(C(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)n1
InChIInChI=1S/C18H22N6O2/c1-2-9-22-11-7-13(21-22)18(26)23-10-4-3-5-15(23)14-12-17(25)24-16(20-14)6-8-19-24/h6-8,11-12,15,19H,2-5,9-10H2,1H3
InChIKeyUWUUYDPQFQIWDG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.00
Rot. Bonds4

About 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110118468) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110118468
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCn1ccc(C(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)n1
InChIInChI=1S/C18H22N6O2/c1-2-9-22-11-7-13(21-22)18(26)23-10-4-3-5-15(23)14-12-17(25)24-16(20-14)6-8-19-24/h6-8,11-12,15,19H,2-5,9-10H2,1H3
InChIKeyUWUUYDPQFQIWDG-UHFFFAOYSA-N
XLogP2.00
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110118468) is 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCn1ccc(C(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)n1.
What is the InChIKey of 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UWUUYDPQFQIWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-2-9-22-11-7-13(21-22)18(26)23-10-4-3-5-15(23)14-12-17(25)24-16(20-14)6-8-19-24/h6-8,11-12,15,19H,2-5,9-10H2,1H3.
What are the key properties of 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-propylpyrazole-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110118468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).