6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C12H12ClF3N4 — CID 103009998

IUPAC6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1nccc1CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H12ClF3N4/c1-20-9(3-5-18-20)2-4-17-11-7-8(12(14,15)16)6-10(13)19-11/h3,5-7H,2,4H2,1H3,(H,17,19)
InChIKeyGOEUGJRBCZGGLP-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.14
Rot. Bonds4

About 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 103009998) has the molecular formula C12H12ClF3N4 and a molecular weight of 304.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID103009998
Molecular FormulaC12H12ClF3N4
Molecular Weight304.70 g/mol
Exact Mass304.07
IUPAC Name6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1nccc1CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H12ClF3N4/c1-20-9(3-5-18-20)2-4-17-11-7-8(12(14,15)16)6-10(13)19-11/h3,5-7H,2,4H2,1H3,(H,17,19)
InChIKeyGOEUGJRBCZGGLP-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.14
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

6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 104695947
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718481
6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716067
1-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 103004473
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)aniline
CID 103000614
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
6-chloro-N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715638
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 103009998) is 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is Cn1nccc1CCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GOEUGJRBCZGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4/c1-20-9(3-5-18-20)2-4-17-11-7-8(12(14,15)16)6-10(13)19-11/h3,5-7H,2,4H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.70 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103009998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).