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

C24H25ClN8O2 — CID 118146805

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1
InChIInChI=1S/C24H25ClN8O2/c1-31(2)10-11-32-15-18(13-26-32)28-23(34)17-6-5-7-20(12-17)33-16-19(14-27-33)29-24(35)30-22-9-4-3-8-21(22)25/h3-9,12-16H,10-11H2,1-2H3,(H,28,34)(H2,29,30,35)
InChIKeyJGHISYSDWKNXIA-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.18
Rot. Bonds8

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

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide (PubChem CID 118146805) has the molecular formula C24H25ClN8O2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
PubChem CID118146805
Molecular FormulaC24H25ClN8O2
Molecular Weight492.97 g/mol
Exact Mass492.18
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
SMILESCN(C)CCn1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1
InChIInChI=1S/C24H25ClN8O2/c1-31(2)10-11-32-15-18(13-26-32)28-23(34)17-6-5-7-20(12-17)33-16-19(14-27-33)29-24(35)30-22-9-4-3-8-21(22)25/h3-9,12-16H,10-11H2,1-2H3,(H,28,34)(H2,29,30,35)
InChIKeyJGHISYSDWKNXIA-UHFFFAOYSA-N
XLogP4.18
TPSA109.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide (CID 118146805) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide is CN(C)CCn1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cn1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
The InChIKey is JGHISYSDWKNXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O2/c1-31(2)10-11-32-15-18(13-26-32)28-23(34)17-6-5-7-20(12-17)33-16-19(14-27-33)29-24(35)30-22-9-4-3-8-21(22)25/h3-9,12-16H,10-11H2,1-2H3,(H,28,34)(H2,29,30,35).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide has a molecular weight of 492.97 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 118146805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).