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

C11H4ClF3N4O — CID 19020335

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C=O
InChIInChI=1S/C11H4ClF3N4O/c12-8-1-7(11(13,14)15)4-17-10(8)19-9(5-20)6(2-16)3-18-19/h1,3-5H
InChIKeyUIZVUWFJEOHYGQ-UHFFFAOYSA-N
MW300.63 g/mol
LogP2.62
Rot. Bonds2

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile (PubChem CID 19020335) has the molecular formula C11H4ClF3N4O and a molecular weight of 300.63 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
PubChem CID19020335
Molecular FormulaC11H4ClF3N4O
Molecular Weight300.63 g/mol
Exact Mass300.00
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C=O
InChIInChI=1S/C11H4ClF3N4O/c12-8-1-7(11(13,14)15)4-17-10(8)19-9(5-20)6(2-16)3-18-19/h1,3-5H
InChIKeyUIZVUWFJEOHYGQ-UHFFFAOYSA-N
XLogP2.62
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.63
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
(2-methoxy-2-oxoethyl) 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]prop-2-enoate
CID 67855010
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide
CID 13373127
5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile
CID 54234963
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formyl-1,3-dihydropyrazole-4-carbonitrile
CID 86746664
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 26452877
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile (CID 19020335) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile is N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C=O.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile?
The InChIKey is UIZVUWFJEOHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N4O/c12-8-1-7(11(13,14)15)4-17-10(8)19-9(5-20)6(2-16)3-18-19/h1,3-5H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile has a molecular weight of 300.63 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile is sourced from PubChem (CID 19020335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).