N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C20H25FN4O2 — CID 51124046

IUPACN-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)N1CCCC1Cc1cccc(F)c1)n1cccn1
InChIInChI=1S/C20H25FN4O2/c1-15(25-11-5-9-22-25)20(27)23(2)14-19(26)24-10-4-8-18(24)13-16-6-3-7-17(21)12-16/h3,5-7,9,11-12,15,18H,4,8,10,13-14H2,1-2H3
InChIKeyHARGOGOARZKQDA-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 51124046) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID51124046
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)N1CCCC1Cc1cccc(F)c1)n1cccn1
InChIInChI=1S/C20H25FN4O2/c1-15(25-11-5-9-22-25)20(27)23(2)14-19(26)24-10-4-8-18(24)13-16-6-3-7-17(21)12-16/h3,5-7,9,11-12,15,18H,4,8,10,13-14H2,1-2H3
InChIKeyHARGOGOARZKQDA-UHFFFAOYSA-N
XLogP2.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119651623
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120735854
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120589509
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 55808363
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
3-(4-chlorophenoxy)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 55805134
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 94806056

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 51124046) is N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is CC(C(=O)N(C)CC(=O)N1CCCC1Cc1cccc(F)c1)n1cccn1.
What is the InChIKey of N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is HARGOGOARZKQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-15(25-11-5-9-22-25)20(27)23(2)14-19(26)24-10-4-8-18(24)13-16-6-3-7-17(21)12-16/h3,5-7,9,11-12,15,18H,4,8,10,13-14H2,1-2H3.
What are the key properties of N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 51124046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).