4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine

C16H15N5 — CID 130430958

IUPAC4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCn1cc(-c2nnc(-c3ccccc3)c3c2CNC3)cn1
InChIInChI=1S/C16H15N5/c1-21-10-12(7-18-21)16-14-9-17-8-13(14)15(19-20-16)11-5-3-2-4-6-11/h2-7,10,17H,8-9H2,1H3
InChIKeyIXFJRFGVGXMENW-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.15
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine

4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (PubChem CID 130430958) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
PubChem CID130430958
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCn1cc(-c2nnc(-c3ccccc3)c3c2CNC3)cn1
InChIInChI=1S/C16H15N5/c1-21-10-12(7-18-21)16-14-9-17-8-13(14)15(19-20-16)11-5-3-2-4-6-11/h2-7,10,17H,8-9H2,1H3
InChIKeyIXFJRFGVGXMENW-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-(1-methylpyrazol-4-yl)-5-phenyl-1H-1,2,4-triazole
CID 61343089
5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine
CID 66294304
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
1-methyl-3-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 162753819
methyl 2-cyano-7-phenyl-1,3-dihydroisoindole-5-carboxylate;4-(1-methylpyrazol-4-yl)-1-phenyl-5,7-dihydropyrrolo[3,4-d]pyridazine-6-carbonitrile
CID 146651366
[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid
CID 137422991
ethane;4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 142337289
4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 74220953
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
CID 62222615
4-(1-methylpyrazol-4-yl)-12-phenyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 53247380

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (CID 130430958) is 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is Cn1cc(-c2nnc(-c3ccccc3)c3c2CNC3)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The InChIKey is IXFJRFGVGXMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-21-10-12(7-18-21)16-14-9-17-8-13(14)15(19-20-16)11-5-3-2-4-6-11/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine has a molecular weight of 277.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 130430958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).