3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H16Cl2N4O — CID 71270836

IUPAC3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2N4O/c1-2-16-14(10-13-4-3-5-15(21)19(13)22)20-24-17(11-18(27)26(20)25-16)12-6-8-23-9-7-12/h3-9,11,25H,2,10H2,1H3
InChIKeySVZMOVNNPKYFSB-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.54
Rot. Bonds4

About 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 71270836) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID71270836
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2N4O/c1-2-16-14(10-13-4-3-5-15(21)19(13)22)20-24-17(11-18(27)26(20)25-16)12-6-8-23-9-7-12/h3-9,11,25H,2,10H2,1H3
InChIKeySVZMOVNNPKYFSB-UHFFFAOYSA-N
XLogP4.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 71270836) is 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SVZMOVNNPKYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c1-2-16-14(10-13-4-3-5-15(21)19(13)22)20-24-17(11-18(27)26(20)25-16)12-6-8-23-9-7-12/h3-9,11,25H,2,10H2,1H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 399.28 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-2-ethyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71270836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).