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

C23H19ClN6O2 — CID 70702010

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide
SMILESCc1cncc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)c1
InChIInChI=1S/C23H19ClN6O2/c1-15-9-17(12-25-11-15)27-22(31)16-5-4-6-19(10-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,31)(H2,28,29,32)
InChIKeyKVVQUXAGSWSMKF-UHFFFAOYSA-N
MW446.90 g/mol
LogP5.13
Rot. Bonds5

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

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide (PubChem CID 70702010) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide
PubChem CID70702010
Molecular FormulaC23H19ClN6O2
Molecular Weight446.90 g/mol
Exact Mass446.13
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide
SMILESCc1cncc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)c1
InChIInChI=1S/C23H19ClN6O2/c1-15-9-17(12-25-11-15)27-22(31)16-5-4-6-19(10-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,31)(H2,28,29,32)
InChIKeyKVVQUXAGSWSMKF-UHFFFAOYSA-N
XLogP5.13
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.90
LogP ≤ 55.13
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, 4276
CID 70702014
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 44270432
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
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(piperidin-4-ylmethyl)benzamide
CID 86763302
US9586948, Example 29
CID 117873092
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118143962
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 118144051

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide (CID 70702010) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide is Cc1cncc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)c1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide?
The InChIKey is KVVQUXAGSWSMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c1-15-9-17(12-25-11-15)27-22(31)16-5-4-6-19(10-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,27,31)(H2,28,29,32).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(5-methyl-3-pyridinyl)benzamide has a molecular weight of 446.90 g/mol, XLogP of 5.13, 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-(5-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 70702010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).