7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

C17H21ClF3N3 — CID 142428707

IUPAC7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCC(C(F)(F)F)CC3)nn2c(Cl)c1C(C)C
InChIInChI=1S/C17H21ClF3N3/c1-9(2)15-10(3)22-14-8-13(23-24(14)16(15)18)11-4-6-12(7-5-11)17(19,20)21/h8-9,11-12H,4-7H2,1-3H3
InChIKeyJNOAOWKBSHTCPM-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.65
Rot. Bonds2

About 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 142428707) has the molecular formula C17H21ClF3N3 and a molecular weight of 359.82 g/mol. Its IUPAC name is 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID142428707
Molecular FormulaC17H21ClF3N3
Molecular Weight359.82 g/mol
Exact Mass359.14
IUPAC Name7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCC(C(F)(F)F)CC3)nn2c(Cl)c1C(C)C
InChIInChI=1S/C17H21ClF3N3/c1-9(2)15-10(3)22-14-8-13(23-24(14)16(15)18)11-4-6-12(7-5-11)17(19,20)21/h8-9,11-12H,4-7H2,1-3H3
InChIKeyJNOAOWKBSHTCPM-UHFFFAOYSA-N
XLogP5.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 142428707) is 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is Cc1nc2cc(C3CCC(C(F)(F)F)CC3)nn2c(Cl)c1C(C)C.
What is the InChIKey of 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JNOAOWKBSHTCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3/c1-9(2)15-10(3)22-14-8-13(23-24(14)16(15)18)11-4-6-12(7-5-11)17(19,20)21/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 359.82 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142428707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).