N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H21F3N4O2 — CID 24791568

IUPACN-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)16-4-2-1-3-15(16)19(29)26-11-8-14(9-12-26)27-17(7-10-24-27)25-18(28)13-5-6-13/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,25,28)
InChIKeyMNXWKGJCCZKLJO-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.73
Rot. Bonds4

About N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24791568) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24791568
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)16-4-2-1-3-15(16)19(29)26-11-8-14(9-12-26)27-17(7-10-24-27)25-18(28)13-5-6-13/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,25,28)
InChIKeyMNXWKGJCCZKLJO-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24791568) is N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is MNXWKGJCCZKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c21-20(22,23)16-4-2-1-3-15(16)19(29)26-11-8-14(9-12-26)27-17(7-10-24-27)25-18(28)13-5-6-13/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,25,28).
What are the key properties of N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24791568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).