N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine

C14H16F3N3 — CID 62113166

IUPACN-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C14H16F3N3/c1-9(2)18-8-12-7-13(20-19-12)10-3-5-11(6-4-10)14(15,16)17/h3-7,9,18H,8H2,1-2H3,(H,19,20)
InChIKeyJNMPEAHVXAVAGV-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.59
Rot. Bonds4

About N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine

N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine (PubChem CID 62113166) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
PubChem CID62113166
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C14H16F3N3/c1-9(2)18-8-12-7-13(20-19-12)10-3-5-11(6-4-10)14(15,16)17/h3-7,9,18H,8H2,1-2H3,(H,19,20)
InChIKeyJNMPEAHVXAVAGV-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 151151605
N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627709
N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65240224
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62112031
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
3-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-3H-indene-1,2-dione
CID 156772921

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine (CID 62113166) is N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine?
The InChIKey is JNMPEAHVXAVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9(2)18-8-12-7-13(20-19-12)10-3-5-11(6-4-10)14(15,16)17/h3-7,9,18H,8H2,1-2H3,(H,19,20).
What are the key properties of N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine?
N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine has a molecular weight of 283.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62113166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).