N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide

C16H17N5O2 — CID 2816578

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C16H17N5O2/c17-10-13-11-18-21(14-4-2-1-3-5-14)16(13)19-15(22)12-20-6-8-23-9-7-20/h1-5,11H,6-9,12H2,(H,19,22)
InChIKeyNWPOVEYUWRUGSY-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.01
Rot. Bonds4

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 2816578) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide
PubChem CID2816578
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C16H17N5O2/c17-10-13-11-18-21(14-4-2-1-3-5-14)16(13)19-15(22)12-20-6-8-23-9-7-20/h1-5,11H,6-9,12H2,(H,19,22)
InChIKeyNWPOVEYUWRUGSY-UHFFFAOYSA-N
XLogP1.01
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide (CID 2816578) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is NWPOVEYUWRUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-10-13-11-18-21(14-4-2-1-3-5-14)16(13)19-15(22)12-20-6-8-23-9-7-20/h1-5,11H,6-9,12H2,(H,19,22).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 311.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2816578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).