5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine

C21H28F3N5O — CID 144669855

IUPAC5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine
SMILESCC1CCN(C2COC2)C1.Nc1ncc(-c2ccn(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N4.C8H15NO/c14-13(15,16)10-5-9(6-18-12(10)17)11-3-4-20(19-11)7-8-1-2-8;1-7-2-3-9(4-7)8-5-10-6-8/h3-6,8H,1-2,7H2,(H2,17,18);7-8H,2-6H2,1H3
InChIKeyACBVWQVJTYMYFY-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine

5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine (PubChem CID 144669855) has the molecular formula C21H28F3N5O and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine
PubChem CID144669855
Molecular FormulaC21H28F3N5O
Molecular Weight423.48 g/mol
Exact Mass423.22
IUPAC Name5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine
SMILESCC1CCN(C2COC2)C1.Nc1ncc(-c2ccn(CC3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N4.C8H15NO/c14-13(15,16)10-5-9(6-18-12(10)17)11-3-4-20(19-11)7-8-1-2-8;1-7-2-3-9(4-7)8-5-10-6-8/h3-6,8H,1-2,7H2,(H2,17,18);7-8H,2-6H2,1H3
InChIKeyACBVWQVJTYMYFY-UHFFFAOYSA-N
XLogP3.68
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280868
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
CID 134316841
5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144866117
5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123282994
5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123568349
5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123949924
5-[2-(cyclopropylmethyl)-1-[(1S,5R,6S)-3-(oxetan-3-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134315956
5-[5-[3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123161553
(3R)-3-methyl-1-(oxetan-3-yl)pyrrolidine
CID 142381359
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine;1-(3-methylpyrrolidin-1-yl)ethanone
CID 144739911
5-[6-[4-(oxetan-3-ylmethoxy)phenyl]imidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90977828
5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
CID 90292809

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine (CID 144669855) is 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine is CC1CCN(C2COC2)C1.Nc1ncc(-c2ccn(CC3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is ACBVWQVJTYMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4.C8H15NO/c14-13(15,16)10-5-9(6-18-12(10)17)11-3-4-20(19-11)7-8-1-2-8;1-7-2-3-9(4-7)8-5-10-6-8/h3-6,8H,1-2,7H2,(H2,17,18);7-8H,2-6H2,1H3.
What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine?
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 423.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;3-methyl-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 144669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).