2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine

C15H11ClF3N3O — CID 15238980

IUPAC2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine
SMILESFC(F)(F)Oc1ccc(C2=NNC(c3ccc(Cl)nc3)C2)cc1
InChIInChI=1S/C15H11ClF3N3O/c16-14-6-3-10(8-20-14)13-7-12(21-22-13)9-1-4-11(5-2-9)23-15(17,18)19/h1-6,8,13,22H,7H2
InChIKeySYALMHGRVLPHKA-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.07
Rot. Bonds3

About 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine

2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine (PubChem CID 15238980) has the molecular formula C15H11ClF3N3O and a molecular weight of 341.72 g/mol. Its IUPAC name is 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine
PubChem CID15238980
Molecular FormulaC15H11ClF3N3O
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Name2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine
SMILESFC(F)(F)Oc1ccc(C2=NNC(c3ccc(Cl)nc3)C2)cc1
InChIInChI=1S/C15H11ClF3N3O/c16-14-6-3-10(8-20-14)13-7-12(21-22-13)9-1-4-11(5-2-9)23-15(17,18)19/h1-6,8,13,22H,7H2
InChIKeySYALMHGRVLPHKA-UHFFFAOYSA-N
XLogP4.07
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine
CID 139644356
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
(5S)-5-(4-fluorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 877364
5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
CID 139267181
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine (CID 15238980) is 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine is FC(F)(F)Oc1ccc(C2=NNC(c3ccc(Cl)nc3)C2)cc1.
What is the InChIKey of 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
The InChIKey is SYALMHGRVLPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O/c16-14-6-3-10(8-20-14)13-7-12(21-22-13)9-1-4-11(5-2-9)23-15(17,18)19/h1-6,8,13,22H,7H2.
What are the key properties of 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine has a molecular weight of 341.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 15238980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).