5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine

C11H11F2N3 — CID 137305023

IUPAC5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NC(=C1CC1)C=C2C(F)F
InChIInChI=1S/C11H11F2N3/c1-6-5-14-16-9(10(12)13)4-8(7-2-3-7)15-11(6)16/h4-5,10,15H,2-3H2,1H3
InChIKeyICVFJKOPOXZDSW-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.77
Rot. Bonds1

About 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine

5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 137305023) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID137305023
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NC(=C1CC1)C=C2C(F)F
InChIInChI=1S/C11H11F2N3/c1-6-5-14-16-9(10(12)13)4-8(7-2-3-7)15-11(6)16/h4-5,10,15H,2-3H2,1H3
InChIKeyICVFJKOPOXZDSW-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine (CID 137305023) is 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine is Cc1cnn2c1NC(=C1CC1)C=C2C(F)F.
What is the InChIKey of 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is ICVFJKOPOXZDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-6-5-14-16-9(10(12)13)4-8(7-2-3-7)15-11(6)16/h4-5,10,15H,2-3H2,1H3.
What are the key properties of 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine?
5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 223.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-7-(difluoromethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137305023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).