3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

C18H17FN4O — CID 156562793

IUPAC3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESNCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17(9-20)18(24)23-16-7-3-12(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)
InChIKeyRSJLKPAADCXPOZ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 156562793) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID156562793
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESNCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17(9-20)18(24)23-16-7-3-12(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)
InChIKeyRSJLKPAADCXPOZ-UHFFFAOYSA-N
XLogP2.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425585
2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 153113467
3-amino-2-azido-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide;dihydrochloride
CID 156562844
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 158988611
2-(ethylamino)-2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425551
3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride
CID 120634360
(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
CID 175994891
3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994904
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 156562793) is 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is NCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is RSJLKPAADCXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17(9-20)18(24)23-16-7-3-12(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24).
What are the key properties of 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 324.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 156562793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).