3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H14ClN3O — CID 1079880

IUPAC3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl
InChIInChI=1S/C15H14ClN3O/c1-2-3-12-8-14(20)19-15(18-12)13(9-17-19)10-4-6-11(16)7-5-10/h4-9,17H,2-3H2,1H3
InChIKeyYGWVLBLIMHZCBC-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.10
Rot. Bonds3

About 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1079880) has the molecular formula C15H14ClN3O and a molecular weight of 287.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1079880
Molecular FormulaC15H14ClN3O
Molecular Weight287.74 g/mol
Exact Mass287.08
IUPAC Name3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl
InChIInChI=1S/C15H14ClN3O/c1-2-3-12-8-14(20)19-15(18-12)13(9-17-19)10-4-6-11(16)7-5-10/h4-9,17H,2-3H2,1H3
InChIKeyYGWVLBLIMHZCBC-UHFFFAOYSA-N
XLogP3.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity501

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753151
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
2-(3-Chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 764165
Cambridge id 5677894
CID 867913
2-[(4-Chlorobenzyl)amino]-7-Oxo-5-Propyl-4,7-Dihydropyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 122190028
2-(4-Chloro-phenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793394
3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 867917
3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-9-one
CID 650677
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753150
2-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
CID 819028
2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879154
6-Chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1855778

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1079880) is 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl.
What is the InChIKey of 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YGWVLBLIMHZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-2-3-12-8-14(20)19-15(18-12)13(9-17-19)10-4-6-11(16)7-5-10/h4-9,17H,2-3H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.74 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).