2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine

C9H6ClF3N4 — CID 14821018

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
SMILESNc1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6ClF3N4/c10-6-3-5(9(11,12)13)4-15-8(6)17-7(14)1-2-16-17/h1-4H,14H2
InChIKeyOQECUGBGCRBFSO-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.52
Rot. Bonds1

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine (PubChem CID 14821018) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
PubChem CID14821018
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
SMILESNc1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6ClF3N4/c10-6-3-5(9(11,12)13)4-15-8(6)17-7(14)1-2-16-17/h1-4H,14H2
InChIKeyOQECUGBGCRBFSO-UHFFFAOYSA-N
XLogP2.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 87687354
5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile
CID 54234963
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-yl] hydrogen carbonate
CID 139617802

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine (CID 14821018) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine is Nc1ccnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
The InChIKey is OQECUGBGCRBFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c10-6-3-5(9(11,12)13)4-15-8(6)17-7(14)1-2-16-17/h1-4H,14H2.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine has a molecular weight of 262.62 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine is sourced from PubChem (CID 14821018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).