3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile

C17H15Cl2N7 — CID 133377207

IUPAC3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c(C#N)c1CC
InChIInChI=1S/C17H15Cl2N7/c1-3-12-13(6-20)16(25-24-15(12)4-2)23-11-8-22-26(9-11)17-14(19)5-10(18)7-21-17/h5,7-9H,3-4H2,1-2H3,(H,23,25)
InChIKeyKQHDXWCKEXINFQ-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.10
Rot. Bonds5

About 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile

3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133377207) has the molecular formula C17H15Cl2N7 and a molecular weight of 388.26 g/mol. Its IUPAC name is 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133377207
Molecular FormulaC17H15Cl2N7
Molecular Weight388.26 g/mol
Exact Mass387.08
IUPAC Name3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c(C#N)c1CC
InChIInChI=1S/C17H15Cl2N7/c1-3-12-13(6-20)16(25-24-15(12)4-2)23-11-8-22-26(9-11)17-14(19)5-10(18)7-21-17/h5,7-9H,3-4H2,1-2H3,(H,23,25)
InChIKeyKQHDXWCKEXINFQ-UHFFFAOYSA-N
XLogP4.10
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile (CID 133377207) is 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c(C#N)c1CC.
What is the InChIKey of 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is KQHDXWCKEXINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N7/c1-3-12-13(6-20)16(25-24-15(12)4-2)23-11-8-22-26(9-11)17-14(19)5-10(18)7-21-17/h5,7-9H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 388.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133377207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).