7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine

C16H20ClF2N3 — CID 146588878

IUPAC7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCC(F)(F)CC3)nn2c(Cl)c1C(C)C
InChIInChI=1S/C16H20ClF2N3/c1-9(2)14-10(3)20-13-8-12(21-22(13)15(14)17)11-4-6-16(18,19)7-5-11/h8-9,11H,4-7H2,1-3H3
InChIKeyHPWRAOZUJLKCQV-UHFFFAOYSA-N
MW327.81 g/mol
LogP5.11
Rot. Bonds2

About 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 146588878) has the molecular formula C16H20ClF2N3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID146588878
Molecular FormulaC16H20ClF2N3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCC(F)(F)CC3)nn2c(Cl)c1C(C)C
InChIInChI=1S/C16H20ClF2N3/c1-9(2)14-10(3)20-13-8-12(21-22(13)15(14)17)11-4-6-16(18,19)7-5-11/h8-9,11H,4-7H2,1-3H3
InChIKeyHPWRAOZUJLKCQV-UHFFFAOYSA-N
XLogP5.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 146588878) is 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2cc(C3CCC(F)(F)CC3)nn2c(Cl)c1C(C)C.
What is the InChIKey of 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HPWRAOZUJLKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2N3/c1-9(2)14-10(3)20-13-8-12(21-22(13)15(14)17)11-4-6-16(18,19)7-5-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 327.81 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4,4-difluorocyclohexyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146588878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).