N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide

C20H19ClN6O2 — CID 118720658

IUPACN-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide
SMILESO=C(Nc1cnn(-c2cccc(C(=O)NC3CNC3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN6O2/c21-17-6-1-2-7-18(17)26-20(29)25-15-11-23-27(12-15)16-5-3-4-13(8-16)19(28)24-14-9-22-10-14/h1-8,11-12,14,22H,9-10H2,(H,24,28)(H2,25,26,29)
InChIKeySADIOHYAMYOCER-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.87
Rot. Bonds5

About N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide

N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide (PubChem CID 118720658) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide
PubChem CID118720658
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC NameN-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide
SMILESO=C(Nc1cnn(-c2cccc(C(=O)NC3CNC3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN6O2/c21-17-6-1-2-7-18(17)26-20(29)25-15-11-23-27(12-15)16-5-3-4-13(8-16)19(28)24-14-9-22-10-14/h1-8,11-12,14,22H,9-10H2,(H,24,28)(H2,25,26,29)
InChIKeySADIOHYAMYOCER-UHFFFAOYSA-N
XLogP2.87
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The IUPAC name of N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide (CID 118720658) is N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide is O=C(Nc1cnn(-c2cccc(C(=O)NC3CNC3)c2)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The InChIKey is SADIOHYAMYOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-17-6-1-2-7-18(17)26-20(29)25-15-11-23-27(12-15)16-5-3-4-13(8-16)19(28)24-14-9-22-10-14/h1-8,11-12,14,22H,9-10H2,(H,24,28)(H2,25,26,29).
What are the key properties of N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide?
N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide has a molecular weight of 410.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 118720658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).