1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H21F3N4O2 — CID 25467725

IUPAC1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)15-4-5-17(27-9-1-8-24-27)16(12-15)25-18(28)13-6-10-26(11-7-13)19(29)14-2-3-14/h1,4-5,8-9,12-14H,2-3,6-7,10-11H2,(H,25,28)
InChIKeyKOKIQHRLOPMBPL-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.48
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 25467725) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID25467725
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)15-4-5-17(27-9-1-8-24-27)16(12-15)25-18(28)13-6-10-26(11-7-13)19(29)14-2-3-14/h1,4-5,8-9,12-14H,2-3,6-7,10-11H2,(H,25,28)
InChIKeyKOKIQHRLOPMBPL-UHFFFAOYSA-N
XLogP3.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 25467725) is 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is KOKIQHRLOPMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c21-20(22,23)15-4-5-17(27-9-1-8-24-27)16(12-15)25-18(28)13-6-10-26(11-7-13)19(29)14-2-3-14/h1,4-5,8-9,12-14H,2-3,6-7,10-11H2,(H,25,28).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25467725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).