(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C23H27F3N4O — CID 11973773

IUPAC(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn(C2CCNCC2)c1C1CC1)N1CC[C@@H](c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C23H27F3N4O/c24-23(25,26)20-4-2-1-3-18(20)16-9-12-29(14-16)22(31)19-13-28-30(21(19)15-5-6-15)17-7-10-27-11-8-17/h1-4,13,15-17,27H,5-12,14H2/t16-/m1/s1
InChIKeyNBVZLWDYABOWBG-MRXNPFEDSA-N
MW432.49 g/mol
LogP4.33
Rot. Bonds4

About (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 11973773) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID11973773
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn(C2CCNCC2)c1C1CC1)N1CC[C@@H](c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C23H27F3N4O/c24-23(25,26)20-4-2-1-3-18(20)16-9-12-29(14-16)22(31)19-13-28-30(21(19)15-5-6-15)17-7-10-27-11-8-17/h1-4,13,15-17,27H,5-12,14H2/t16-/m1/s1
InChIKeyNBVZLWDYABOWBG-MRXNPFEDSA-N
XLogP4.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 11973773) is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is O=C(c1cnn(C2CCNCC2)c1C1CC1)N1CC[C@@H](c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is NBVZLWDYABOWBG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27F3N4O/c24-23(25,26)20-4-2-1-3-18(20)16-9-12-29(14-16)22(31)19-13-28-30(21(19)15-5-6-15)17-7-10-27-11-8-17/h1-4,13,15-17,27H,5-12,14H2/t16-/m1/s1.
What are the key properties of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 432.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).