N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

C18H19ClF3N5O2 — CID 135375530

IUPACN-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(C(=O)N2CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C18H19ClF3N5O2/c1-12(28)24-15-9-23-27(11-15)17(29)26-6-4-25(5-7-26)10-13-8-14(19)2-3-16(13)18(20,21)22/h2-3,8-9,11H,4-7,10H2,1H3,(H,24,28)
InChIKeyGNLCKNOCCYEBBR-UHFFFAOYSA-N
MW429.83 g/mol
LogP3.30
Rot. Bonds3

About N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375530) has the molecular formula C18H19ClF3N5O2 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375530
Molecular FormulaC18H19ClF3N5O2
Molecular Weight429.83 g/mol
Exact Mass429.12
IUPAC NameN-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(C(=O)N2CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C18H19ClF3N5O2/c1-12(28)24-15-9-23-27(11-15)17(29)26-6-4-25(5-7-26)10-13-8-14(19)2-3-16(13)18(20,21)22/h2-3,8-9,11H,4-7,10H2,1H3,(H,24,28)
InChIKeyGNLCKNOCCYEBBR-UHFFFAOYSA-N
XLogP3.30
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10323038, Example 70
CID 135375561
US10323038, Example 198
CID 135375596
US10323038, Example 297
CID 135375601
US10323038, Example 98
CID 135375605
US10323038, Example 275
CID 135375634
US10323038, Example 122
CID 135375641
US10323038, Example 214
CID 135375664
US10323038, Example 44
CID 135375738
US10323038, Example 277
CID 135375750
US10323038, Example 293
CID 135375789
US10323038, Example 205
CID 135375919
US10323038, Example 209
CID 135375983

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (CID 135375530) is N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is CC(=O)Nc1cnn(C(=O)N2CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is GNLCKNOCCYEBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N5O2/c1-12(28)24-15-9-23-27(11-15)17(29)26-6-4-25(5-7-26)10-13-8-14(19)2-3-16(13)18(20,21)22/h2-3,8-9,11H,4-7,10H2,1H3,(H,24,28).
What are the key properties of N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 429.83 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).