6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide

C16H16N6O — CID 133449091

IUPAC6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
SMILESCn1cc(CNc2ccc(C(N)=O)nn2)c(-c2ccccc2)n1
InChIInChI=1S/C16H16N6O/c1-22-10-12(15(21-22)11-5-3-2-4-6-11)9-18-14-8-7-13(16(17)23)19-20-14/h2-8,10H,9H2,1H3,(H2,17,23)(H,18,20)
InChIKeyCWWXKCPMWXJMSL-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.59
Rot. Bonds5

About 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide

6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide (PubChem CID 133449091) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
PubChem CID133449091
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
SMILESCn1cc(CNc2ccc(C(N)=O)nn2)c(-c2ccccc2)n1
InChIInChI=1S/C16H16N6O/c1-22-10-12(15(21-22)11-5-3-2-4-6-11)9-18-14-8-7-13(16(17)23)19-20-14/h2-8,10H,9H2,1H3,(H2,17,23)(H,18,20)
InChIKeyCWWXKCPMWXJMSL-UHFFFAOYSA-N
XLogP1.59
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076
6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 133379878
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 133449167
2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine
CID 110028940
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133449263
4-fluoro-3-[[(1-methyl-3-phenylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 166226863
2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110028939
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
methyl 3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-4-nitrobenzoate
CID 133464015
4-[(1-methyl-3-phenylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 122009577

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide (CID 133449091) is 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide is Cn1cc(CNc2ccc(C(N)=O)nn2)c(-c2ccccc2)n1.
What is the InChIKey of 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide?
The InChIKey is CWWXKCPMWXJMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-22-10-12(15(21-22)11-5-3-2-4-6-11)9-18-14-8-7-13(16(17)23)19-20-14/h2-8,10H,9H2,1H3,(H2,17,23)(H,18,20).
What are the key properties of 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide?
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133449091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).