N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide

C16H20FN3O — CID 77084684

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCc1n[nH]c(C)c1C(C)NC(=O)CCc1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-10(16-11(2)19-20-12(16)3)18-15(21)9-8-13-6-4-5-7-14(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNWVMNFFAFSMGLD-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 77084684) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID77084684
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCc1n[nH]c(C)c1C(C)NC(=O)CCc1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-10(16-11(2)19-20-12(16)3)18-15(21)9-8-13-6-4-5-7-14(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNWVMNFFAFSMGLD-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
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N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 125168277
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
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3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
3-(2-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725941
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 94139427
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 92604845

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide (CID 77084684) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide is Cc1n[nH]c(C)c1C(C)NC(=O)CCc1ccccc1F.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is NWVMNFFAFSMGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(16-11(2)19-20-12(16)3)18-15(21)9-8-13-6-4-5-7-14(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 289.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 77084684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).