3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C13H19ClF3N5O — CID 120812453

IUPAC3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H19ClF3N5O/c14-10-7-20-22(9-10)4-1-12(23)19-8-11(13(15,16)17)21-5-2-18-3-6-21/h7,9,11,18H,1-6,8H2,(H,19,23)
InChIKeyUVUXJUOWPYFZSX-UHFFFAOYSA-N
MW353.78 g/mol
LogP0.88
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120812453) has the molecular formula C13H19ClF3N5O and a molecular weight of 353.78 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120812453
Molecular FormulaC13H19ClF3N5O
Molecular Weight353.78 g/mol
Exact Mass353.12
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H19ClF3N5O/c14-10-7-20-22(9-10)4-1-12(23)19-8-11(13(15,16)17)21-5-2-18-3-6-21/h7,9,11,18H,1-6,8H2,(H,19,23)
InChIKeyUVUXJUOWPYFZSX-UHFFFAOYSA-N
XLogP0.88
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide 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

1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]azepan-3-amine
CID 70719252
N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 91836936
1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95598303
(2S)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707097
(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
CID 125161578
1-[4-(2,2-Difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 145332322
2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 155225342
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
2-(4-chloropyrazol-1-yl)-N-(4,4-difluorobut-3-enyl)acetamide
CID 163220333
(3R)-1-[1-(difluoromethyl)pyrazol-4-yl]-3-methylpiperazin-2-one
CID 178837847

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120812453) is 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is O=C(CCn1cc(Cl)cn1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is UVUXJUOWPYFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N5O/c14-10-7-20-22(9-10)4-1-12(23)19-8-11(13(15,16)17)21-5-2-18-3-6-21/h7,9,11,18H,1-6,8H2,(H,19,23).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 353.78 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120812453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).