MYEIKWHKVVCIES-UHFFFAOYSA-N

Name: MYEIKWHKVVCIES-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₀H₃₀F₃N₅O₂ — CID 54577032

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

IUPAC3-[1-[4-(3-aminopropanoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-ethylpropanamide

SMILESCCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CCN)cc2)n1

InChIInChI=1S/C30H30F3N5O2/c1-2-35-28(39)16-13-25-19-27(38(37-25)26-14-11-24(12-15-26)36-29(40)17-18-34)22-5-3-20(4-6-22)21-7-9-23(10-8-21)30(31,32)33/h3-12,14-15,19H,2,13,16-18,34H2,1H3,(H,35,39)(H,36,40)

InChIKeyMYEIKWHKVVCIES-UHFFFAOYSA-N

MW549.60 g/mol

LogP5.58

Rot. Bonds10

About MYEIKWHKVVCIES-UHFFFAOYSA-N

MYEIKWHKVVCIES-UHFFFAOYSA-N (PubChem CID 54577032) has the molecular formula C₃₀H₃₀F₃N₅O₂ and a molecular weight of 549.60 g/mol. Its IUPAC name is 3-[1-[4-(3-aminopropanoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name	MYEIKWHKVVCIES-UHFFFAOYSA-N
PubChem CID	54577032
Molecular Formula	C₃₀H₃₀F₃N₅O₂
Molecular Weight	549.60 g/mol
Exact Mass	549.24
IUPAC Name	3-[1-[4-(3-aminopropanoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-ethylpropanamide
SMILES	CCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CCN)cc2)n1
InChI	InChI=1S/C30H30F3N5O2/c1-2-35-28(39)16-13-25-19-27(38(37-25)26-14-11-24(12-15-26)36-29(40)17-18-34)22-5-3-20(4-6-22)21-7-9-23(10-8-21)30(31,32)33/h3-12,14-15,19H,2,13,16-18,34H2,1H3,(H,35,39)(H,36,40)
InChIKey	MYEIKWHKVVCIES-UHFFFAOYSA-N
XLogP	5.58
TPSA	102.04 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.60
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of MYEIKWHKVVCIES-UHFFFAOYSA-N?

The IUPAC name of MYEIKWHKVVCIES-UHFFFAOYSA-N (CID 54577032) is 3-[1-[4-(3-aminopropanoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-ethylpropanamide.

What is the SMILES notation for MYEIKWHKVVCIES-UHFFFAOYSA-N?

The canonical SMILES for MYEIKWHKVVCIES-UHFFFAOYSA-N is CCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CCN)cc2)n1.

What is the InChIKey of MYEIKWHKVVCIES-UHFFFAOYSA-N?

The InChIKey is MYEIKWHKVVCIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N5O2/c1-2-35-28(39)16-13-25-19-27(38(37-25)26-14-11-24(12-15-26)36-29(40)17-18-34)22-5-3-20(4-6-22)21-7-9-23(10-8-21)30(31,32)33/h3-12,14-15,19H,2,13,16-18,34H2,1H3,(H,35,39)(H,36,40).

What are the key properties of MYEIKWHKVVCIES-UHFFFAOYSA-N?

MYEIKWHKVVCIES-UHFFFAOYSA-N has a molecular weight of 549.60 g/mol, XLogP of 5.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MYEIKWHKVVCIES-UHFFFAOYSA-N is sourced from PubChem (CID 54577032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 54577032 — identifiers, structure, computed properties (public domain)

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