5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile

C10H4ClF3IN5 — CID 54234963

IUPAC5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(N)c1I
InChIInChI=1S/C10H4ClF3IN5/c11-5-1-4(10(12,13)14)3-18-9(5)20-8(17)7(15)6(2-16)19-20/h1,3H,17H2
InChIKeyQLWSJHDZUVSOIR-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.00
Rot. Bonds1

About 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile

5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile (PubChem CID 54234963) has the molecular formula C10H4ClF3IN5 and a molecular weight of 413.53 g/mol. Its IUPAC name is 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile
PubChem CID54234963
Molecular FormulaC10H4ClF3IN5
Molecular Weight413.53 g/mol
Exact Mass412.92
IUPAC Name5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(N)c1I
InChIInChI=1S/C10H4ClF3IN5/c11-5-1-4(10(12,13)14)3-18-9(5)20-8(17)7(15)6(2-16)19-20/h1,3H,17H2
InChIKeyQLWSJHDZUVSOIR-UHFFFAOYSA-N
XLogP3.00
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
CID 19020335
N'-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-cyano-4-(2,2,2-trifluoroacetyl)pyrazol-5-yl]-N,N-dimethylmethanimidamide
CID 87322621
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile
CID 18005349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
potassium 5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-sulfonate
CID 138394704
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[1-(methoxyamino)ethenyl]pyrazole-3-carbonitrile
CID 57282356
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(E)-hydroxyiminomethyl]pyrazole-3-carbonitrile
CID 19356482
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carbonitrile
CID 11430316
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trichloromethylsulfinyl)pyrazole-3-carbonitrile
CID 167434789

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile?
The IUPAC name of 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile (CID 54234963) is 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile.
What is the SMILES notation for 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile?
The canonical SMILES for 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile is N#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(N)c1I.
What is the InChIKey of 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile?
The InChIKey is QLWSJHDZUVSOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3IN5/c11-5-1-4(10(12,13)14)3-18-9(5)20-8(17)7(15)6(2-16)19-20/h1,3H,17H2.
What are the key properties of 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile?
5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile has a molecular weight of 413.53 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile is sourced from PubChem (CID 54234963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).