1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine

C14H16F3N3O — CID 43728941

IUPAC1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C14H16F3N3O/c1-21-7-6-20-10-12(9-19-20)18-8-11-4-2-3-5-13(11)14(15,16)17/h2-5,9-10,18H,6-8H2,1H3
InChIKeySWUMLTVRLLLECS-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine (PubChem CID 43728941) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
PubChem CID43728941
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C14H16F3N3O/c1-21-7-6-20-10-12(9-19-20)18-8-11-4-2-3-5-13(11)14(15,16)17/h2-5,9-10,18H,6-8H2,1H3
InChIKeySWUMLTVRLLLECS-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
CID 66418036
N-(1H-indazol-7-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 71969471
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 75384478
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43728868
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729032
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 81312279
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine (CID 43728941) is 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine is COCCn1cc(NCc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine?
The InChIKey is SWUMLTVRLLLECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-21-7-6-20-10-12(9-19-20)18-8-11-4-2-3-5-13(11)14(15,16)17/h2-5,9-10,18H,6-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 43728941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).