1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one

C19H23F2N3O3 — CID 174882619

IUPAC1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2N=CCC2c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H23F2N3O3/c1-2-17(25)23-11-8-14(9-12-23)18(26)24-16(7-10-22-24)13-3-5-15(6-4-13)27-19(20)21/h3-6,10,14,16,19H,2,7-9,11-12H2,1H3
InChIKeyIQCNXTZPCGXQDE-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.20
Rot. Bonds5

About 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one

1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 174882619) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID174882619
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2N=CCC2c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H23F2N3O3/c1-2-17(25)23-11-8-14(9-12-23)18(26)24-16(7-10-22-24)13-3-5-15(6-4-13)27-19(20)21/h3-6,10,14,16,19H,2,7-9,11-12H2,1H3
InChIKeyIQCNXTZPCGXQDE-UHFFFAOYSA-N
XLogP3.20
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882514
1-[4-[(3S)-3-(2-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882572
1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 175842138
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
CID 122703629
[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703746
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119166789
1-[2-[4-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]-4-hydroxypiperidin-1-yl]propan-1-one
CID 174613402
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2703300
[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 122703608

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one (CID 174882619) is 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(=O)N2N=CCC2c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is IQCNXTZPCGXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-2-17(25)23-11-8-14(9-12-23)18(26)24-16(7-10-22-24)13-3-5-15(6-4-13)27-19(20)21/h3-6,10,14,16,19H,2,7-9,11-12H2,1H3.
What are the key properties of 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one?
1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 379.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 174882619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).