(3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide

C14H17F3N4O2 — CID 172908502

IUPAC(3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)C2(c3ccnn3C(F)(F)F)CC2)C1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)21-10(3-6-19-21)13(4-5-13)12(23)20-7-1-2-9(8-20)11(18)22/h3,6,9H,1-2,4-5,7-8H2,(H2,18,22)/t9-/m0/s1
InChIKeyQCOUSVMUBLQHPP-VIFPVBQESA-N
MW330.31 g/mol
LogP1.11
Rot. Bonds3

About (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide

(3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide (PubChem CID 172908502) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide
PubChem CID172908502
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name(3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)C2(c3ccnn3C(F)(F)F)CC2)C1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)21-10(3-6-19-21)13(4-5-13)12(23)20-7-1-2-9(8-20)11(18)22/h3,6,9H,1-2,4-5,7-8H2,(H2,18,22)/t9-/m0/s1
InChIKeyQCOUSVMUBLQHPP-VIFPVBQESA-N
XLogP1.11
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide (CID 172908502) is (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)C2(c3ccnn3C(F)(F)F)CC2)C1.
What is the InChIKey of (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide?
The InChIKey is QCOUSVMUBLQHPP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)21-10(3-6-19-21)13(4-5-13)12(23)20-7-1-2-9(8-20)11(18)22/h3,6,9H,1-2,4-5,7-8H2,(H2,18,22)/t9-/m0/s1.
What are the key properties of (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide?
(3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-[2-(trifluoromethyl)pyrazol-3-yl]cyclopropanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).