N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide

C21H23N5O2 — CID 162655328

IUPACN-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C21H23N5O2/c27-21(23-10-11-25-12-14-28-15-13-25)19-16-26(18-4-2-1-3-5-18)24-20(19)17-6-8-22-9-7-17/h1-9,16H,10-15H2,(H,23,27)
InChIKeyTTWOHLHTNDZLHZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.00
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 162655328) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID162655328
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C21H23N5O2/c27-21(23-10-11-25-12-14-28-15-13-25)19-16-26(18-4-2-1-3-5-18)24-20(19)17-6-8-22-9-7-17/h1-9,16H,10-15H2,(H,23,27)
InChIKeyTTWOHLHTNDZLHZ-UHFFFAOYSA-N
XLogP2.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide (CID 162655328) is N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is TTWOHLHTNDZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(23-10-11-25-12-14-28-15-13-25)19-16-26(18-4-2-1-3-5-18)24-20(19)17-6-8-22-9-7-17/h1-9,16H,10-15H2,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 162655328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).