4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine

C13H22F3N3O — CID 103216585

IUPAC4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCCNC(CCc1ccnn1C)COCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-3-7-17-11(9-20-10-13(14,15)16)4-5-12-6-8-18-19(12)2/h6,8,11,17H,3-5,7,9-10H2,1-2H3
InChIKeyWZNCWGDYUAXVMQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.30
Rot. Bonds9

About 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine

4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103216585) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103216585
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCCNC(CCc1ccnn1C)COCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-3-7-17-11(9-20-10-13(14,15)16)4-5-12-6-8-18-19(12)2/h6,8,11,17H,3-5,7,9-10H2,1-2H3
InChIKeyWZNCWGDYUAXVMQ-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-5-yl)morpholine
CID 82597432
5,5-Difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine
CID 141395810
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
CID 55073137
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 62442345
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62442346
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62442541
1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 62565250
4,4,4-trifluoro-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771206
N-ethyl-4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771207
4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64771379
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 64777821
4,4,4-trifluoro-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64777822

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103216585) is 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine is CCCNC(CCc1ccnn1C)COCC(F)(F)F.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is WZNCWGDYUAXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-3-7-17-11(9-20-10-13(14,15)16)4-5-12-6-8-18-19(12)2/h6,8,11,17H,3-5,7,9-10H2,1-2H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine?
4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103216585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).