3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C14H13ClF3N5 — CID 4774399

IUPAC3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCn1ncc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)c1C
InChIInChI=1S/C14H13ClF3N5/c1-4-22-8(3)9(6-19-22)10-5-11(14(16,17)18)23-13(20-10)12(15)7(2)21-23/h5-6H,4H2,1-3H3
InChIKeyAHBLXDXEPGZXTG-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.90
Rot. Bonds2

About 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 4774399) has the molecular formula C14H13ClF3N5 and a molecular weight of 343.74 g/mol. Its IUPAC name is 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID4774399
Molecular FormulaC14H13ClF3N5
Molecular Weight343.74 g/mol
Exact Mass343.08
IUPAC Name3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCn1ncc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)c1C
InChIInChI=1S/C14H13ClF3N5/c1-4-22-8(3)9(6-19-22)10-5-11(14(16,17)18)23-13(20-10)12(15)7(2)21-23/h5-6H,4H2,1-3H3
InChIKeyAHBLXDXEPGZXTG-UHFFFAOYSA-N
XLogP3.90
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 4774399) is 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCn1ncc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)c1C.
What is the InChIKey of 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AHBLXDXEPGZXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5/c1-4-22-8(3)9(6-19-22)10-5-11(14(16,17)18)23-13(20-10)12(15)7(2)21-23/h5-6H,4H2,1-3H3.
What are the key properties of 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 343.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).