5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C18H14ClN5 — CID 118708226

IUPAC5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(Cc2ccccc2Cl)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14ClN5/c19-14-9-5-4-6-12(14)10-16-21-15-11-24(13-7-2-1-3-8-13)23-17(15)18(20)22-16/h1-9,11H,10H2,(H2,20,21,22)
InChIKeyRMRJZSGPWQFTGV-UHFFFAOYSA-N
MW335.80 g/mol
LogP3.64
Rot. Bonds3

About 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708226) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708226
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(Cc2ccccc2Cl)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14ClN5/c19-14-9-5-4-6-12(14)10-16-21-15-11-24(13-7-2-1-3-8-13)23-17(15)18(20)22-16/h1-9,11H,10H2,(H2,20,21,22)
InChIKeyRMRJZSGPWQFTGV-UHFFFAOYSA-N
XLogP3.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708226) is 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(Cc2ccccc2Cl)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is RMRJZSGPWQFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-14-9-5-4-6-12(14)10-16-21-15-11-24(13-7-2-1-3-8-13)23-17(15)18(20)22-16/h1-9,11H,10H2,(H2,20,21,22).
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 335.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).