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

C14H11F3N6 — CID 4765648

IUPAC5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)c(C)n1
InChIInChI=1S/C14H11F3N6/c1-3-22-7-10(8(2)21-22)11-4-12(14(15,16)17)23-13(20-11)9(5-18)6-19-23/h4,6-7H,3H2,1-2H3
InChIKeyCOKVGPPSGHGQEV-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.81
Rot. Bonds2

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

5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4765648) has the molecular formula C14H11F3N6 and a molecular weight of 320.28 g/mol. Its IUPAC name is 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4765648
Molecular FormulaC14H11F3N6
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC Name5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)c(C)n1
InChIInChI=1S/C14H11F3N6/c1-3-22-7-10(8(2)21-22)11-4-12(14(15,16)17)23-13(20-11)9(5-18)6-19-23/h4,6-7H,3H2,1-2H3
InChIKeyCOKVGPPSGHGQEV-UHFFFAOYSA-N
XLogP2.81
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4765648) is 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCn1cc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)c(C)n1.
What is the InChIKey of 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is COKVGPPSGHGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6/c1-3-22-7-10(8(2)21-22)11-4-12(14(15,16)17)23-13(20-11)9(5-18)6-19-23/h4,6-7H,3H2,1-2H3.
What are the key properties of 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 320.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4765648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).