N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide

C20H20FN3O2 — CID 87040595

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H20FN3O2/c1-15-12-22-24(13-15)10-9-20(25)23-18-3-2-4-19(11-18)26-14-16-5-7-17(21)8-6-16/h2-8,11-13H,9-10,14H2,1H3,(H,23,25)
InChIKeyOGTVCJVSFADGEB-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.94
Rot. Bonds7

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 87040595) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID87040595
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H20FN3O2/c1-15-12-22-24(13-15)10-9-20(25)23-18-3-2-4-19(11-18)26-14-16-5-7-17(21)8-6-16/h2-8,11-13H,9-10,14H2,1H3,(H,23,25)
InChIKeyOGTVCJVSFADGEB-UHFFFAOYSA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
CID 75455691
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 46598990
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47353212
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46594988
3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide
CID 134815924
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 87040595) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is OGTVCJVSFADGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-15-12-22-24(13-15)10-9-20(25)23-18-3-2-4-19(11-18)26-14-16-5-7-17(21)8-6-16/h2-8,11-13H,9-10,14H2,1H3,(H,23,25).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 87040595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).