3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

C11H10ClF2N3 — CID 4774354

IUPAC3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)F)cc(C3CC3)nc2c1Cl
InChIInChI=1S/C11H10ClF2N3/c1-5-9(12)11-15-7(6-2-3-6)4-8(10(13)14)17(11)16-5/h4,6,10H,2-3H2,1H3
InChIKeyMYUCVCFYFIWBFJ-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.51
Rot. Bonds2

About 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4774354) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4774354
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)F)cc(C3CC3)nc2c1Cl
InChIInChI=1S/C11H10ClF2N3/c1-5-9(12)11-15-7(6-2-3-6)4-8(10(13)14)17(11)16-5/h4,6,10H,2-3H2,1H3
InChIKeyMYUCVCFYFIWBFJ-UHFFFAOYSA-N
XLogP3.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4774354) is 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)F)cc(C3CC3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MYUCVCFYFIWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c1-5-9(12)11-15-7(6-2-3-6)4-8(10(13)14)17(11)16-5/h4,6,10H,2-3H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 257.67 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).