2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

C12H11F3N4 — CID 19627794

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
SMILESNc1cccnc1-n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)10-6-9(7-3-4-7)19(18-10)11-8(16)2-1-5-17-11/h1-2,5-7H,3-4,16H2
InChIKeyALOSQHRQEIQDFR-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.75
Rot. Bonds2

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (PubChem CID 19627794) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
PubChem CID19627794
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
SMILESNc1cccnc1-n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)10-6-9(7-3-4-7)19(18-10)11-8(16)2-1-5-17-11/h1-2,5-7H,3-4,16H2
InChIKeyALOSQHRQEIQDFR-UHFFFAOYSA-N
XLogP2.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
CID 134377497
1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
CID 174976483
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-quinolin-6-ylacetamide
CID 52913841
2-chloro-N'-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanimidamide
CID 169368196
2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 19552441
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine
CID 123192158
N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
CID 142797933
3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide
CID 142790235
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833
2-(3-amino-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 131874580

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (CID 19627794) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is Nc1cccnc1-n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The InChIKey is ALOSQHRQEIQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)10-6-9(7-3-4-7)19(18-10)11-8(16)2-1-5-17-11/h1-2,5-7H,3-4,16H2.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine has a molecular weight of 268.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is sourced from PubChem (CID 19627794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).