N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide

C14H12Cl2F3N3O — CID 73332142

IUPACN-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](Cn1nc(Cl)cc1Cl)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12Cl2F3N3O/c1-8(7-22-12(16)6-11(15)21-22)20-13(23)9-3-2-4-10(5-9)14(17,18)19/h2-6,8H,7H2,1H3,(H,20,23)/t8-/m0/s1
InChIKeyNAMNFAHZCFCTRC-QMMMGPOBSA-N
MW366.17 g/mol
LogP4.03
Rot. Bonds4

About N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide

N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 73332142) has the molecular formula C14H12Cl2F3N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID73332142
Molecular FormulaC14H12Cl2F3N3O
Molecular Weight366.17 g/mol
Exact Mass365.03
IUPAC NameN-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](Cn1nc(Cl)cc1Cl)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12Cl2F3N3O/c1-8(7-22-12(16)6-11(15)21-22)20-13(23)9-3-2-4-10(5-9)14(17,18)19/h2-6,8H,7H2,1H3,(H,20,23)/t8-/m0/s1
InChIKeyNAMNFAHZCFCTRC-QMMMGPOBSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide 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

N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
N-[(2S)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 70987921
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 113484980
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
CID 134118431

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide (CID 73332142) is N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide is C[C@@H](Cn1nc(Cl)cc1Cl)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is NAMNFAHZCFCTRC-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O/c1-8(7-22-12(16)6-11(15)21-22)20-13(23)9-3-2-4-10(5-9)14(17,18)19/h2-6,8H,7H2,1H3,(H,20,23)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide?
N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 366.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 73332142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).