4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide

C20H16ClN5O — CID 66576890

IUPAC4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1
InChIInChI=1S/C20H16ClN5O/c1-22-20(27)14-10-8-13(9-11-14)17-15-16(21)18(12-6-4-3-5-7-12)23-24-19(15)26(2)25-17/h3-11H,1-2H3,(H,22,27)
InChIKeyUDGNYNSAUDOGAB-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide

4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide (PubChem CID 66576890) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide
PubChem CID66576890
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1
InChIInChI=1S/C20H16ClN5O/c1-22-20(27)14-10-8-13(9-11-14)17-15-16(21)18(12-6-4-3-5-7-12)23-24-19(15)26(2)25-17/h3-11H,1-2H3,(H,22,27)
InChIKeyUDGNYNSAUDOGAB-UHFFFAOYSA-N
XLogP3.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 52942235
CID 52942235
CID 1489751
CID 1489751
CID 53049862
CID 53049862
CID 91893500
CID 91893500
CID 134791735
CID 134791735
CID 134794202
CID 134794202
CID 134796049
CID 134796049
CID 134799362
CID 134799362
CID 178295943
CID 178295943
CID 146637578
CID 146637578
CID 146638297
CID 146638297
CID 148605957
CID 148605957

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide?
The IUPAC name of 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide (CID 66576890) is 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide?
The canonical SMILES for 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide is CNC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.
What is the InChIKey of 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide?
The InChIKey is UDGNYNSAUDOGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-22-20(27)14-10-8-13(9-11-14)17-15-16(21)18(12-6-4-3-5-7-12)23-24-19(15)26(2)25-17/h3-11H,1-2H3,(H,22,27).
What are the key properties of 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide?
4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide has a molecular weight of 377.84 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide is sourced from PubChem (CID 66576890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).