7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine

C14H10Cl2FN3 — CID 82274553

IUPAC7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2c(Cl)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2FN3/c1-8-9(7-10-11(15)3-2-4-12(10)17)14(16)20-13(19-8)5-6-18-20/h2-6H,7H2,1H3
InChIKeyOZAWPUGDFRUXEZ-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.07
Rot. Bonds2

About 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274553) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82274553
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2c(Cl)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2FN3/c1-8-9(7-10-11(15)3-2-4-12(10)17)14(16)20-13(19-8)5-6-18-20/h2-6H,7H2,1H3
InChIKeyOZAWPUGDFRUXEZ-UHFFFAOYSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274547
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 63022672
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-1H-pyrazol-2-ium-3-amine chloride
CID 136711504
7-chloro-6-isocyano-5-methylpyrazolo[1,5-a]pyrimidine
CID 58314348
2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
CID 6404599
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
CID 143805437
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 82274553) is 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1nc2ccnn2c(Cl)c1Cc1c(F)cccc1Cl.
What is the InChIKey of 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OZAWPUGDFRUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c1-8-9(7-10-11(15)3-2-4-12(10)17)14(16)20-13(19-8)5-6-18-20/h2-6H,7H2,1H3.
What are the key properties of 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 310.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).