3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C24H21ClN6O2 — CID 118146884

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1
InChIInChI=1S/C24H21ClN6O2/c1-16-9-10-17(12-26-16)13-27-23(32)18-5-4-6-20(11-18)31-15-19(14-28-31)29-24(33)30-22-8-3-2-7-21(22)25/h2-12,14-15H,13H2,1H3,(H,27,32)(H2,29,30,33)
InChIKeyOYICHVOOWWQYDE-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.80
Rot. Bonds6

About 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 118146884) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID118146884
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1
InChIInChI=1S/C24H21ClN6O2/c1-16-9-10-17(12-26-16)13-27-23(32)18-5-4-6-20(11-18)31-15-19(14-28-31)29-24(33)30-22-8-3-2-7-21(22)25/h2-12,14-15H,13H2,1H3,(H,27,32)(H2,29,30,33)
InChIKeyOYICHVOOWWQYDE-UHFFFAOYSA-N
XLogP4.80
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 118146884) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is OYICHVOOWWQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-16-9-10-17(12-26-16)13-27-23(32)18-5-4-6-20(11-18)31-15-19(14-28-31)29-24(33)30-22-8-3-2-7-21(22)25/h2-12,14-15H,13H2,1H3,(H,27,32)(H2,29,30,33).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 460.93 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 118146884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).