N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine

C18H16FN3 — CID 143053211

IUPACN-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine
SMILESC=C(Cc1ccc(F)cc1)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C18H16FN3/c1-14(13-15-7-9-16(19)10-8-15)21-18-11-12-20-22(18)17-5-3-2-4-6-17/h2-12,21H,1,13H2
InChIKeyCOIQHQXRQLGWBU-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.18
Rot. Bonds5

About N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine

N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine (PubChem CID 143053211) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine
PubChem CID143053211
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC NameN-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine
SMILESC=C(Cc1ccc(F)cc1)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C18H16FN3/c1-14(13-15-7-9-16(19)10-8-15)21-18-11-12-20-22(18)17-5-3-2-4-6-17/h2-12,21H,1,13H2
InChIKeyCOIQHQXRQLGWBU-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine
CID 143052880
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide
CID 154779024
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
2-amino-N-(2-phenylpyrazol-3-yl)benzamide
CID 14638390
2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide
CID 59420626
1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058
1-(2-cyclopropyl-3-hydroxypropyl)-3-[2-(4-fluorophenyl)pyrazol-3-yl]urea
CID 166251227
(2Z,4Z)-1-N-benzyl-2-ethyl-6-methoxy-3-N-(2-phenylpyrazol-3-yl)hepta-2,4,6-triene-1,3-diamine
CID 142904185
N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167815880
1-(2-phenylpyrazol-3-yl)ethenamine
CID 169217922
N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
CID 166219983

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine?
The IUPAC name of N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine (CID 143053211) is N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine is C=C(Cc1ccc(F)cc1)Nc1ccnn1-c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine?
The InChIKey is COIQHQXRQLGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-14(13-15-7-9-16(19)10-8-15)21-18-11-12-20-22(18)17-5-3-2-4-6-17/h2-12,21H,1,13H2.
What are the key properties of N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine?
N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine has a molecular weight of 293.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-phenylpyrazol-3-amine is sourced from PubChem (CID 143053211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).