N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C13H19F3N4O — CID 75448503

IUPACN-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O/c1-9(2)17-12(21)19-6-3-10(4-7-19)20-8-5-11(18-20)13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,21)
InChIKeyACZXCCVHVMENGE-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.66
Rot. Bonds2

About N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448503) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448503
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O/c1-9(2)17-12(21)19-6-3-10(4-7-19)20-8-5-11(18-20)13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,21)
InChIKeyACZXCCVHVMENGE-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448503) is N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is ACZXCCVHVMENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(2)17-12(21)19-6-3-10(4-7-19)20-8-5-11(18-20)13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,21).
What are the key properties of N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).