N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide

C22H21N5O2 — CID 167756464

IUPACN-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)c2ccn(C3CCNCC3)n2)cc1
InChIInChI=1S/C22H21N5O2/c23-15-16-3-1-2-4-21(16)29-19-7-5-17(6-8-19)25-22(28)20-11-14-27(26-20)18-9-12-24-13-10-18/h1-8,11,14,18,24H,9-10,12-13H2,(H,25,28)
InChIKeyIWCDRULCOQQUMT-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide

N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide (PubChem CID 167756464) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide
PubChem CID167756464
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)c2ccn(C3CCNCC3)n2)cc1
InChIInChI=1S/C22H21N5O2/c23-15-16-3-1-2-4-21(16)29-19-7-5-17(6-8-19)25-22(28)20-11-14-27(26-20)18-9-12-24-13-10-18/h1-8,11,14,18,24H,9-10,12-13H2,(H,25,28)
InChIKeyIWCDRULCOQQUMT-UHFFFAOYSA-N
XLogP3.72
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide (CID 167756464) is N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide is N#Cc1ccccc1Oc1ccc(NC(=O)c2ccn(C3CCNCC3)n2)cc1.
What is the InChIKey of N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide?
The InChIKey is IWCDRULCOQQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-15-16-3-1-2-4-21(16)29-19-7-5-17(6-8-19)25-22(28)20-11-14-27(26-20)18-9-12-24-13-10-18/h1-8,11,14,18,24H,9-10,12-13H2,(H,25,28).
What are the key properties of N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide?
N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 167756464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).