1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide

C19H23ClN4O3 — CID 110280468

IUPAC1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(COc2cccc(Cl)c2)n1)C(=O)N1CCCCC1
InChIInChI=1S/C19H23ClN4O3/c1-14(19(26)23-9-3-2-4-10-23)21-18(25)17-8-11-24(22-17)13-27-16-7-5-6-15(20)12-16/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,21,25)
InChIKeyNEGACFCKGVMPKI-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.70
Rot. Bonds6

About 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide

1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 110280468) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID110280468
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(COc2cccc(Cl)c2)n1)C(=O)N1CCCCC1
InChIInChI=1S/C19H23ClN4O3/c1-14(19(26)23-9-3-2-4-10-23)21-18(25)17-8-11-24(22-17)13-27-16-7-5-6-15(20)12-16/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,21,25)
InChIKeyNEGACFCKGVMPKI-UHFFFAOYSA-N
XLogP2.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 75358425
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4863104
N-[1-(1-adamantyl)propyl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19276504
1-[(3-chlorophenoxy)methyl]-N-(3-methoxypropyl)pyrazole-3-carboxamide
CID 19276667
1-[(3-chlorophenoxy)methyl]-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyrazole-3-carboxamide
CID 110278445
1-[(3-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19276484
1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017314
1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273354
1-[(3-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19276584
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 91948555
1-[(3-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19276507
methyl 4-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748828

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide (CID 110280468) is 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide is CC(NC(=O)c1ccn(COc2cccc(Cl)c2)n1)C(=O)N1CCCCC1.
What is the InChIKey of 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is NEGACFCKGVMPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-14(19(26)23-9-3-2-4-10-23)21-18(25)17-8-11-24(22-17)13-27-16-7-5-6-15(20)12-16/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,21,25).
What are the key properties of 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide?
1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 110280468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).