3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile

C15H17N5 — CID 80510045

IUPAC3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(-n2ccc(C3CC3)n2)c(C#N)c1CC
InChIInChI=1S/C15H17N5/c1-3-11-12(9-16)15(18-17-13(11)4-2)20-8-7-14(19-20)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyBVPIOKZJVUYVHV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.54
Rot. Bonds4

About 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile

3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80510045) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80510045
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(-n2ccc(C3CC3)n2)c(C#N)c1CC
InChIInChI=1S/C15H17N5/c1-3-11-12(9-16)15(18-17-13(11)4-2)20-8-7-14(19-20)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyBVPIOKZJVUYVHV-UHFFFAOYSA-N
XLogP2.54
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile (CID 80510045) is 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(-n2ccc(C3CC3)n2)c(C#N)c1CC.
What is the InChIKey of 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is BVPIOKZJVUYVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-11-12(9-16)15(18-17-13(11)4-2)20-8-7-14(19-20)10-5-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80510045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).