5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine

C17H19FN4 — CID 142238493

IUPAC5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine
SMILESC=C1NC(Cc2ccccc2F)=Nc2c1n[nH]c2CC(C)C
InChIInChI=1S/C17H19FN4/c1-10(2)8-14-17-16(22-21-14)11(3)19-15(20-17)9-12-6-4-5-7-13(12)18/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVARBPLJKUKIDPT-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.59
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine

5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine (PubChem CID 142238493) has the molecular formula C17H19FN4 and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine
PubChem CID142238493
Molecular FormulaC17H19FN4
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine
SMILESC=C1NC(Cc2ccccc2F)=Nc2c1n[nH]c2CC(C)C
InChIInChI=1S/C17H19FN4/c1-10(2)8-14-17-16(22-21-14)11(3)19-15(20-17)9-12-6-4-5-7-13(12)18/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVARBPLJKUKIDPT-UHFFFAOYSA-N
XLogP3.59
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine (CID 142238493) is 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine is C=C1NC(Cc2ccccc2F)=Nc2c1n[nH]c2CC(C)C.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine?
The InChIKey is VARBPLJKUKIDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-10(2)8-14-17-16(22-21-14)11(3)19-15(20-17)9-12-6-4-5-7-13(12)18/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine?
5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine has a molecular weight of 298.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 142238493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).