5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21F3N8O — CID 122516491

IUPAC5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNCC4(C)C)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N8O/c1-17(2)10-22-5-7-28(17)13-4-6-29-15(25-13)11(8-23-29)16(30)24-12-9-27(3)26-14(12)18(19,20)21/h4,6,8-9,22H,5,7,10H2,1-3H3,(H,24,30)
InChIKeyWUICTUURAZUYFV-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.92
Rot. Bonds3

About 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516491) has the molecular formula C18H21F3N8O and a molecular weight of 422.42 g/mol. Its IUPAC name is 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122516491
Molecular FormulaC18H21F3N8O
Molecular Weight422.42 g/mol
Exact Mass422.18
IUPAC Name5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNCC4(C)C)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N8O/c1-17(2)10-22-5-7-28(17)13-4-6-29-15(25-13)11(8-23-29)16(30)24-12-9-27(3)26-14(12)18(19,20)21/h4,6,8-9,22H,5,7,10H2,1-3H3,(H,24,30)
InChIKeyWUICTUURAZUYFV-UHFFFAOYSA-N
XLogP1.92
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516491) is 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4CCNCC4(C)C)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WUICTUURAZUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N8O/c1-17(2)10-22-5-7-28(17)13-4-6-29-15(25-13)11(8-23-29)16(30)24-12-9-27(3)26-14(12)18(19,20)21/h4,6,8-9,22H,5,7,10H2,1-3H3,(H,24,30).
What are the key properties of 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).