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

C24H21ClN6O2 — CID 118146748

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cc(C)n1
InChIInChI=1S/C24H21ClN6O2/c1-15-10-18(11-16(2)27-15)28-23(32)17-6-5-7-20(12-17)31-14-19(13-26-31)29-24(33)30-22-9-4-3-8-21(22)25/h3-14H,1-2H3,(H,27,28,32)(H2,29,30,33)
InChIKeyQUBFVDVWHOIYRD-UHFFFAOYSA-N
MW460.93 g/mol
LogP5.43
Rot. Bonds5

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

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide (PubChem CID 118146748) 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-(2,6-dimethyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide
PubChem CID118146748
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cc(C)n1
InChIInChI=1S/C24H21ClN6O2/c1-15-10-18(11-16(2)27-15)28-23(32)17-6-5-7-20(12-17)31-14-19(13-26-31)29-24(33)30-22-9-4-3-8-21(22)25/h3-14H,1-2H3,(H,27,28,32)(H2,29,30,33)
InChIKeyQUBFVDVWHOIYRD-UHFFFAOYSA-N
XLogP5.43
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
3-[4-[[[(2-Chlorophenyl)amino]carbonyl]amino]-1H-pyrazol-1-yl]-N-[1-(3-pyrrolidinyl)-1H-pyrazol-4-yl]benzamide
CID 101891709
Aminopyrazole inhibitor, 4326
CID 70702010
Aminopyrazole inhibitor, 4276
CID 70702014
1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 5-phenylamide 3-[(pyridin-3-ylmethyl)-amide]
CID 10048413
(3-Chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621510
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 44270432
N-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882570
N-(2-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882615
2,6-dichloro-N-[2-[(1-ethylpyrazol-4-yl)amino]-4-pyridinyl]benzamide
CID 49839441
MJ-15
CID 59377482

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide (CID 118146748) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)cc(C)n1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide?
The InChIKey is QUBFVDVWHOIYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-15-10-18(11-16(2)27-15)28-23(32)17-6-5-7-20(12-17)31-14-19(13-26-31)29-24(33)30-22-9-4-3-8-21(22)25/h3-14H,1-2H3,(H,27,28,32)(H2,29,30,33).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide has a molecular weight of 460.93 g/mol, XLogP of 5.43, 5 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-(2,6-dimethyl-4-pyridinyl)benzamide is sourced from PubChem (CID 118146748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).