1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine

C9H15F3N4 — CID 122171374

IUPAC1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine
SMILESCCn1nc(N)cc1CN(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-3-16-7(4-8(13)14-16)5-15(2)6-9(10,11)12/h4H,3,5-6H2,1-2H3,(H2,13,14)
InChIKeyINEPHPPGMZRAMY-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.48
Rot. Bonds4

About 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine

1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine (PubChem CID 122171374) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine
PubChem CID122171374
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine
SMILESCCn1nc(N)cc1CN(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-3-16-7(4-8(13)14-16)5-15(2)6-9(10,11)12/h4H,3,5-6H2,1-2H3,(H2,13,14)
InChIKeyINEPHPPGMZRAMY-UHFFFAOYSA-N
XLogP1.48
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
5-Amino-N,N,3-trimethyl-1H-pyrazole-1-ethanamine
CID 2758501
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
1-Sec-Butyl-3-Methyl-1H-Pyrazol-5-Amine
CID 19619868
1-Isobutyl-3-methyl-1H-pyrazol-5-amine
CID 19619869

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine (CID 122171374) is 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine is CCn1nc(N)cc1CN(C)CC(F)(F)F.
What is the InChIKey of 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine?
The InChIKey is INEPHPPGMZRAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-3-16-7(4-8(13)14-16)5-15(2)6-9(10,11)12/h4H,3,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine?
1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine has a molecular weight of 236.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-3-amine is sourced from PubChem (CID 122171374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).