Pyrrolidinyl urea derivative 7

Name: Pyrrolidinyl urea derivative 7 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₂₆F₃N₅O — CID 118128612

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[(3S,4R)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1

InChIInChI=1S/C25H26F3N5O/c26-25(27,28)16-32-14-20(17-8-3-1-4-9-17)22(15-32)29-24(34)30-23-19-12-7-13-21(19)31-33(23)18-10-5-2-6-11-18/h1-6,8-11,20,22H,7,12-16H2,(H2,29,30,34)/t20-,22+/m0/s1

InChIKeyAFWYYOYVHRLTSQ-RBBKRZOGSA-N

MW469.51 g/mol

LogP4.51

Rot. Bonds5

About Pyrrolidinyl urea derivative 7

Pyrrolidinyl urea derivative 7 (PubChem CID 118128612) has the molecular formula C₂₅H₂₆F₃N₅O and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[(3S,4R)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name	Pyrrolidinyl urea derivative 7
PubChem CID	118128612
Molecular Formula	C₂₅H₂₆F₃N₅O
Molecular Weight	469.51 g/mol
Exact Mass	469.21
IUPAC Name	1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[(3S,4R)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILES	O=C(Nc1c2c(nn1-c1ccccc1)CCC2)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1
InChI	InChI=1S/C25H26F3N5O/c26-25(27,28)16-32-14-20(17-8-3-1-4-9-17)22(15-32)29-24(34)30-23-19-12-7-13-21(19)31-33(23)18-10-5-2-6-11-18/h1-6,8-11,20,22H,7,12-16H2,(H2,29,30,34)/t20-,22+/m0/s1
InChIKey	AFWYYOYVHRLTSQ-RBBKRZOGSA-N
XLogP	4.51
TPSA	62.19 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Pyrrolidinyl urea derivative 7?

The IUPAC name of Pyrrolidinyl urea derivative 7 (CID 118128612) is 1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[(3S,4R)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

What is the SMILES notation for Pyrrolidinyl urea derivative 7?

The canonical SMILES for Pyrrolidinyl urea derivative 7 is O=C(Nc1c2c(nn1-c1ccccc1)CCC2)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1.

What is the InChIKey of Pyrrolidinyl urea derivative 7?

The InChIKey is AFWYYOYVHRLTSQ-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H26F3N5O/c26-25(27,28)16-32-14-20(17-8-3-1-4-9-17)22(15-32)29-24(34)30-23-19-12-7-13-21(19)31-33(23)18-10-5-2-6-11-18/h1-6,8-11,20,22H,7,12-16H2,(H2,29,30,34)/t20-,22+/m0/s1.

What are the key properties of Pyrrolidinyl urea derivative 7?

Pyrrolidinyl urea derivative 7 has a molecular weight of 469.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Pyrrolidinyl urea derivative 7 is sourced from PubChem (CID 118128612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118128612 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.