methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate

C14H17N5O2 — CID 133281007

IUPACmethyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2c2cnn(C)c2)nn1
InChIInChI=1S/C14H17N5O2/c1-18-9-10(8-15-18)12-4-3-7-19(12)13-6-5-11(16-17-13)14(20)21-2/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeySJRUASDVFVXSDS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.34
Rot. Bonds3

About methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate

methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate (PubChem CID 133281007) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
PubChem CID133281007
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2c2cnn(C)c2)nn1
InChIInChI=1S/C14H17N5O2/c1-18-9-10(8-15-18)12-4-3-7-19(12)13-6-5-11(16-17-13)14(20)21-2/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeySJRUASDVFVXSDS-UHFFFAOYSA-N
XLogP1.34
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate (CID 133281007) is methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCCC2c2cnn(C)c2)nn1.
What is the InChIKey of methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is SJRUASDVFVXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-9-10(8-15-18)12-4-3-7-19(12)13-6-5-11(16-17-13)14(20)21-2/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 133281007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).