N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C18H24N4O3 — CID 19271082

IUPACN-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C18H24N4O3/c23-18(19-8-4-9-21-11-13-24-14-12-21)17-7-10-22(20-17)15-25-16-5-2-1-3-6-16/h1-3,5-7,10H,4,8-9,11-15H2,(H,19,23)
InChIKeyFKDIMHTVRDYOMU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.37
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 19271082) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID19271082
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C18H24N4O3/c23-18(19-8-4-9-21-11-13-24-14-12-21)17-7-10-22(20-17)15-25-16-5-2-1-3-6-16/h1-3,5-7,10H,4,8-9,11-15H2,(H,19,23)
InChIKeyFKDIMHTVRDYOMU-UHFFFAOYSA-N
XLogP1.37
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 19271082) is N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccn(COc2ccccc2)n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is FKDIMHTVRDYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-18(19-8-4-9-21-11-13-24-14-12-21)17-7-10-22(20-17)15-25-16-5-2-1-3-6-16/h1-3,5-7,10H,4,8-9,11-15H2,(H,19,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).