2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone

C25H30F3N5O2 — CID 67435354

IUPAC2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(n2ncc(C(=O)N3CCCC3c3ccccc3C(F)(F)F)c2C2CC2)CC1
InChIInChI=1S/C25H30F3N5O2/c26-25(27,28)20-5-2-1-4-18(20)21-6-3-11-32(21)24(35)19-15-30-33(23(19)16-7-8-16)17-9-12-31(13-10-17)22(34)14-29/h1-2,4-5,15-17,21H,3,6-14,29H2
InChIKeyPWHOSBPPTMKWDX-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.88
Rot. Bonds5

About 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone

2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 67435354) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID67435354
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC Name2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(n2ncc(C(=O)N3CCCC3c3ccccc3C(F)(F)F)c2C2CC2)CC1
InChIInChI=1S/C25H30F3N5O2/c26-25(27,28)20-5-2-1-4-18(20)21-6-3-11-32(21)24(35)19-15-30-33(23(19)16-7-8-16)17-9-12-31(13-10-17)22(34)14-29/h1-2,4-5,15-17,21H,3,6-14,29H2
InChIKeyPWHOSBPPTMKWDX-UHFFFAOYSA-N
XLogP3.88
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 67435354) is 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCC(n2ncc(C(=O)N3CCCC3c3ccccc3C(F)(F)F)c2C2CC2)CC1.
What is the InChIKey of 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is PWHOSBPPTMKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c26-25(27,28)20-5-2-1-4-18(20)21-6-3-11-32(21)24(35)19-15-30-33(23(19)16-7-8-16)17-9-12-31(13-10-17)22(34)14-29/h1-2,4-5,15-17,21H,3,6-14,29H2.
What are the key properties of 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 489.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 67435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).