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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Related Compounds

Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
Arylpyrazole, 20
CID 44143420
ORL1 antagonist 1
CID 44143417
Arylpyrazole, 18
CID 44143418
Arylpyrazole, 19
CID 44143419
Arylpyrazole, 21
CID 44143421
Arylpyrazole, 22
CID 44143422
Arylpyrazole, 26
CID 44143426
Arylpyrazole, 27
CID 44143427
Arylpyrazole, 29
CID 44143429

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).