N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine

C12H16F3N5 — CID 19626314

IUPACN-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine
SMILESCCn1nc(CNc2cc(C)n(C)n2)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N5/c1-4-20-10(12(13,14)15)6-9(17-20)7-16-11-5-8(2)19(3)18-11/h5-6H,4,7H2,1-3H3,(H,16,18)
InChIKeyFNKAJZKPZKWKEQ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.58
Rot. Bonds4

About N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine

N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 19626314) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID19626314
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC NameN-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine
SMILESCCn1nc(CNc2cc(C)n(C)n2)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N5/c1-4-20-10(12(13,14)15)6-9(17-20)7-16-11-5-8(2)19(3)18-11/h5-6H,4,7H2,1-3H3,(H,16,18)
InChIKeyFNKAJZKPZKWKEQ-UHFFFAOYSA-N
XLogP2.58
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 5147753
5-methyl-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1H-pyrazol-3-amine
CID 19576915
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 46995716
N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57139999
5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine
CID 129045310
5-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpyrazol-3-amine;N,N-dimethyl-2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanamine;ethane
CID 144341067
2,2-Bis(3,5-dimethylpyrazol-1-yl)ethanamine
CID 90942795
N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide
CID 102274171
1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
CID 19626300
2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
CID 19626302
1,5-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
CID 19626303
1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
CID 19626307

Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine (CID 19626314) is N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine is CCn1nc(CNc2cc(C)n(C)n2)cc1C(F)(F)F.
What is the InChIKey of N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is FNKAJZKPZKWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-4-20-10(12(13,14)15)6-9(17-20)7-16-11-5-8(2)19(3)18-11/h5-6H,4,7H2,1-3H3,(H,16,18).
What are the key properties of N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine?
N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 287.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 19626314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).