N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C19H24N4O3 — CID 75358425

IUPACN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(COc2ccccc2)n1)C(=O)N1CCCCC1
InChIInChI=1S/C19H24N4O3/c1-15(19(25)22-11-6-3-7-12-22)20-18(24)17-10-13-23(21-17)14-26-16-8-4-2-5-9-16/h2,4-5,8-10,13,15H,3,6-7,11-12,14H2,1H3,(H,20,24)
InChIKeyXRFHYKDABZRSAF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.05
Rot. Bonds6

About N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 75358425) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID75358425
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(COc2ccccc2)n1)C(=O)N1CCCCC1
InChIInChI=1S/C19H24N4O3/c1-15(19(25)22-11-6-3-7-12-22)20-18(24)17-10-13-23(21-17)14-26-16-8-4-2-5-9-16/h2,4-5,8-10,13,15H,3,6-7,11-12,14H2,1H3,(H,20,24)
InChIKeyXRFHYKDABZRSAF-UHFFFAOYSA-N
XLogP2.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 110280468
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 35325388
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 115596760
(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 45147693
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490
N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 75358425) is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide is CC(NC(=O)c1ccn(COc2ccccc2)n1)C(=O)N1CCCCC1.
What is the InChIKey of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is XRFHYKDABZRSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-15(19(25)22-11-6-3-7-12-22)20-18(24)17-10-13-23(21-17)14-26-16-8-4-2-5-9-16/h2,4-5,8-10,13,15H,3,6-7,11-12,14H2,1H3,(H,20,24).
What are the key properties of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 75358425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).