N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine

C14H16F3N3 — CID 65200285

IUPACN-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3/c1-3-18-13(12-8-9-20(2)19-12)10-6-4-5-7-11(10)14(15,16)17/h4-9,13,18H,3H2,1-2H3
InChIKeyYDHCLQUXOVRCOY-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.14
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 65200285) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID65200285
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3/c1-3-18-13(12-8-9-20(2)19-12)10-6-4-5-7-11(10)14(15,16)17/h4-9,13,18H,3H2,1-2H3
InChIKeyYDHCLQUXOVRCOY-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-bromo-2-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130800
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105025280
N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(1-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103134633
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 65200285) is N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is YDHCLQUXOVRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-18-13(12-8-9-20(2)19-12)10-6-4-5-7-11(10)14(15,16)17/h4-9,13,18H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 65200285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).