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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Related Compounds

ethyl 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3616553
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4774562
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11405592
5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4773526
3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774051
3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774399
1-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824502
3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774619
2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
CID 19621145
6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497806
4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 44824492
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441110

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).