N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide

C16H17F2N3O — CID 131896806

IUPACN-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NC1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H17F2N3O/c1-11(10-21-8-2-7-19-21)15(22)20-16(5-6-16)13-9-12(17)3-4-14(13)18/h2-4,7-9,11H,5-6,10H2,1H3,(H,20,22)
InChIKeyDRUMQQILNIPYCX-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide

N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 131896806) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID131896806
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NC1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H17F2N3O/c1-11(10-21-8-2-7-19-21)15(22)20-16(5-6-16)13-9-12(17)3-4-14(13)18/h2-4,7-9,11H,5-6,10H2,1H3,(H,20,22)
InChIKeyDRUMQQILNIPYCX-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233
N-[1-(methoxymethyl)cyclopentyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131949420
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 74239991
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 56818149
5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 63672825
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
(2S)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 99931768
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 77085154
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
CID 122562392

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 131896806) is N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide is CC(Cn1cccn1)C(=O)NC1(c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is DRUMQQILNIPYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-11(10-21-8-2-7-19-21)15(22)20-16(5-6-16)13-9-12(17)3-4-14(13)18/h2-4,7-9,11H,5-6,10H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide?
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 305.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 131896806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).