4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine

C20H19N5O — CID 141218974

IUPAC4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine
SMILESc1ccc(-n2cc(N3CCOCC3)cn2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C20H19N5O/c1-2-4-20(25-14-17(13-22-25)24-7-9-26-10-8-24)18(3-1)15-5-6-19-16(11-15)12-21-23-19/h1-6,11-14H,7-10H2,(H,21,23)
InChIKeyXBCNTPIFXPCOHC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.25
Rot. Bonds3

About 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine

4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine (PubChem CID 141218974) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine
PubChem CID141218974
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine
SMILESc1ccc(-n2cc(N3CCOCC3)cn2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C20H19N5O/c1-2-4-20(25-14-17(13-22-25)24-7-9-26-10-8-24)18(3-1)15-5-6-19-16(11-15)12-21-23-19/h1-6,11-14H,7-10H2,(H,21,23)
InChIKeyXBCNTPIFXPCOHC-UHFFFAOYSA-N
XLogP3.25
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine?
The IUPAC name of 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine (CID 141218974) is 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine is c1ccc(-n2cc(N3CCOCC3)cn2)c(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine?
The InChIKey is XBCNTPIFXPCOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-4-20(25-14-17(13-22-25)24-7-9-26-10-8-24)18(3-1)15-5-6-19-16(11-15)12-21-23-19/h1-6,11-14H,7-10H2,(H,21,23).
What are the key properties of 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine?
4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine has a molecular weight of 345.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1H-indazol-5-yl)phenyl]pyrazol-4-yl]morpholine is sourced from PubChem (CID 141218974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).