4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H20F3N5O2 — CID 53146877

IUPAC4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(=O)n2nccc12
InChIInChI=1S/C20H20F3N5O2/c1-26-16(12-18(29)28-17(26)6-9-24-28)13-7-10-27(11-8-13)19(30)25-15-5-3-2-4-14(15)20(21,22)23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,25,30)
InChIKeyDFIIALYLSMOQAX-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 53146877) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID53146877
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(=O)n2nccc12
InChIInChI=1S/C20H20F3N5O2/c1-26-16(12-18(29)28-17(26)6-9-24-28)13-7-10-27(11-8-13)19(30)25-15-5-3-2-4-14(15)20(21,22)23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,25,30)
InChIKeyDFIIALYLSMOQAX-UHFFFAOYSA-N
XLogP3.46
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 53146877) is 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cn1c(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(=O)n2nccc12.
What is the InChIKey of 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DFIIALYLSMOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-26-16(12-18(29)28-17(26)6-9-24-28)13-7-10-27(11-8-13)19(30)25-15-5-3-2-4-14(15)20(21,22)23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,25,30).
What are the key properties of 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 53146877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).