N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine

C14H16F3N3 — CID 62113001

IUPACN-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H16F3N3/c1-2-7-18-9-10-8-13(20-19-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,8,18H,2,7,9H2,1H3,(H,19,20)
InChIKeyCSSMMVJBJGCVEI-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.60
Rot. Bonds5

About N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine

N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (PubChem CID 62113001) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
PubChem CID62113001
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H16F3N3/c1-2-7-18-9-10-8-13(20-19-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,8,18H,2,7,9H2,1H3,(H,19,20)
InChIKeyCSSMMVJBJGCVEI-UHFFFAOYSA-N
XLogP3.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62112186
N-[[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485484
N-[[3-(5-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 82972817
N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 43624682
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
3-phenyl-5-[[3-[2-(trifluoromethyl)phenyl]phenoxy]methyl]-1H-pyrazole
CID 68627254
N-[[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 63991312
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847351
N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112347
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10222301
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (CID 62113001) is N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine is CCCNCc1cc(-c2ccccc2C(F)(F)F)n[nH]1.
What is the InChIKey of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The InChIKey is CSSMMVJBJGCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-2-7-18-9-10-8-13(20-19-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,8,18H,2,7,9H2,1H3,(H,19,20).
What are the key properties of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine has a molecular weight of 283.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62113001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).