5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H19F3N6O — CID 19415034

IUPAC5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H19F3N6O/c1-3-26-14(6-7-22-26)10(2)23-17(28)13-9-16-24-12(11-4-5-11)8-15(18(19,20)21)27(16)25-13/h6-11H,3-5H2,1-2H3,(H,23,28)
InChIKeySMBDIVGKFYRPCX-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.33
Rot. Bonds5

About 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19415034) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19415034
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H19F3N6O/c1-3-26-14(6-7-22-26)10(2)23-17(28)13-9-16-24-12(11-4-5-11)8-15(18(19,20)21)27(16)25-13/h6-11H,3-5H2,1-2H3,(H,23,28)
InChIKeySMBDIVGKFYRPCX-UHFFFAOYSA-N
XLogP3.33
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4259373
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-cyclopropyl-N-3-pyridinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1258926
5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
US10093651, Example 2
CID 122632282
N-(1-aminopropan-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166627324
6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 166627546
6-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166631889
6-cyclopropyl-1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166632170
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166636180
N-(1-aminopropan-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166636202

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19415034) is 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1nccc1C(C)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SMBDIVGKFYRPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-3-26-14(6-7-22-26)10(2)23-17(28)13-9-16-24-12(11-4-5-11)8-15(18(19,20)21)27(16)25-13/h6-11H,3-5H2,1-2H3,(H,23,28).
What are the key properties of 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19415034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).