3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide

C25H20ClN7O2 — CID 118146923

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide
SMILESCn1cc2cc(NC(=O)c3cccc(-n4cc(NC(=O)Nc5ccccc5Cl)cn4)c3)ccc2n1
InChIInChI=1S/C25H20ClN7O2/c1-32-14-17-11-18(9-10-22(17)31-32)28-24(34)16-5-4-6-20(12-16)33-15-19(13-27-33)29-25(35)30-23-8-3-2-7-21(23)26/h2-15H,1H3,(H,28,34)(H2,29,30,35)
InChIKeyBLVSUXUTZYWETJ-UHFFFAOYSA-N
MW485.94 g/mol
LogP5.31
Rot. Bonds5

About 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide (PubChem CID 118146923) has the molecular formula C25H20ClN7O2 and a molecular weight of 485.94 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide
PubChem CID118146923
Molecular FormulaC25H20ClN7O2
Molecular Weight485.94 g/mol
Exact Mass485.14
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide
SMILESCn1cc2cc(NC(=O)c3cccc(-n4cc(NC(=O)Nc5ccccc5Cl)cn4)c3)ccc2n1
InChIInChI=1S/C25H20ClN7O2/c1-32-14-17-11-18(9-10-22(17)31-32)28-24(34)16-5-4-6-20(12-16)33-15-19(13-27-33)29-25(35)30-23-8-3-2-7-21(23)26/h2-15H,1H3,(H,28,34)(H2,29,30,35)
InChIKeyBLVSUXUTZYWETJ-UHFFFAOYSA-N
XLogP5.31
TPSA105.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.94
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 118146873
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]benzamide
CID 122632845
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 144857820
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide
CID 118146845
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 70702014
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
(2-chlorophenyl) N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate
CID 118146800
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
3-[4-[(5-chloro-1,3-benzodioxol-4-yl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117076255

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide (CID 118146923) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide is Cn1cc2cc(NC(=O)c3cccc(-n4cc(NC(=O)Nc5ccccc5Cl)cn4)c3)ccc2n1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide?
The InChIKey is BLVSUXUTZYWETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN7O2/c1-32-14-17-11-18(9-10-22(17)31-32)28-24(34)16-5-4-6-20(12-16)33-15-19(13-27-33)29-25(35)30-23-8-3-2-7-21(23)26/h2-15H,1H3,(H,28,34)(H2,29,30,35).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide has a molecular weight of 485.94 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylindazol-5-yl)benzamide is sourced from PubChem (CID 118146923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).