2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine

C15H17F3N4 — CID 143614986

IUPAC2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine
SMILESC=C(NC(C)CN)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C15H17F3N4/c1-10(8-19)20-11(2)13-9-22(12-6-4-3-5-7-12)21-14(13)15(16,17)18/h3-7,9-10,20H,2,8,19H2,1H3
InChIKeyWNWLJNYXYYTFJX-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.80
Rot. Bonds5

About 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine

2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine (PubChem CID 143614986) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine
PubChem CID143614986
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine
SMILESC=C(NC(C)CN)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C15H17F3N4/c1-10(8-19)20-11(2)13-9-22(12-6-4-3-5-7-12)21-14(13)15(16,17)18/h3-7,9-10,20H,2,8,19H2,1H3
InChIKeyWNWLJNYXYYTFJX-UHFFFAOYSA-N
XLogP2.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 69097813
N-ethyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71131088
3-O-benzyl 1-O-methyl (2R)-2-[[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]propanedioate
CID 68994121
1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59569138
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 68989896
ethyl 1-phenyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)pyrazole-4-carboxylate
CID 163934460
1-phenyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)pyrazole-4-carboxylic acid
CID 122691854
N-[(2R)-2-[(4-ethoxybenzoyl)amino]-3-hydroxypropyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 46885002
methyl 4-[ethyl-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]carbamoyl]cyclohexane-1-carboxylate
CID 66686107
2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide
CID 66693610
1-(4-methylpiperazin-1-yl)-3-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-yn-1-one
CID 170672321
N-[2-[(3-benzoyl-4-propan-2-ylcyclopentanecarbonyl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66693818

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine (CID 143614986) is 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine is C=C(NC(C)CN)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine?
The InChIKey is WNWLJNYXYYTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-10(8-19)20-11(2)13-9-22(12-6-4-3-5-7-12)21-14(13)15(16,17)18/h3-7,9-10,20H,2,8,19H2,1H3.
What are the key properties of 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine?
2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine has a molecular weight of 310.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]propane-1,2-diamine is sourced from PubChem (CID 143614986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).