5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine

C9H16F2N4 — CID 122171373

IUPAC5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1CN(C)CC(F)F
InChIInChI=1S/C9H16F2N4/c1-3-15-7(4-9(12)13-15)5-14(2)6-8(10)11/h4,8H,3,5-6H2,1-2H3,(H2,12,13)
InChIKeyUVRDOXWFVPFVTF-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.18
Rot. Bonds5

About 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine

5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine (PubChem CID 122171373) has the molecular formula C9H16F2N4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine
PubChem CID122171373
Molecular FormulaC9H16F2N4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1CN(C)CC(F)F
InChIInChI=1S/C9H16F2N4/c1-3-15-7(4-9(12)13-15)5-14(2)6-8(10)11/h4,8H,3,5-6H2,1-2H3,(H2,12,13)
InChIKeyUVRDOXWFVPFVTF-UHFFFAOYSA-N
XLogP1.18
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.18
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
5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CID 646883
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

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine?
The IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine (CID 122171373) is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine.
What is the SMILES notation for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine?
The canonical SMILES for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine is CCn1nc(N)cc1CN(C)CC(F)F.
What is the InChIKey of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine?
The InChIKey is UVRDOXWFVPFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4/c1-3-15-7(4-9(12)13-15)5-14(2)6-8(10)11/h4,8H,3,5-6H2,1-2H3,(H2,12,13).
What are the key properties of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine?
5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine has a molecular weight of 218.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-ethylpyrazol-3-amine is sourced from PubChem (CID 122171373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).