4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C9H13N3O — CID 171846440

IUPAC4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)N1C(=O)CCn2nccc21
InChIInChI=1S/C9H13N3O/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13/h3,5,7H,4,6H2,1-2H3
InChIKeyKQKQZCNPPDSZRV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.03
Rot. Bonds1

About 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 171846440) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID171846440
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)N1C(=O)CCn2nccc21
InChIInChI=1S/C9H13N3O/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13/h3,5,7H,4,6H2,1-2H3
InChIKeyKQKQZCNPPDSZRV-UHFFFAOYSA-N
XLogP1.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20919982
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid
CID 20885436
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60837295
4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
CID 145225486
N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920002
N-[(4-methoxyphenyl)methyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53023090
7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
CID 89022817
4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920038
methyl 2-[[4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoyl]amino]benzoate
CID 53023091
3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 171846440) is 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is CC(C)N1C(=O)CCn2nccc21.
What is the InChIKey of 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is KQKQZCNPPDSZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 179.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 171846440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).