2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile

C16H16N6 — CID 51033830

IUPAC2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile
SMILESN#CCC1(n2cc(-c3cnnc4[nH]ccc34)cn2)CCCC1
InChIInChI=1S/C16H16N6/c17-7-6-16(4-1-2-5-16)22-11-12(9-20-22)14-10-19-21-15-13(14)3-8-18-15/h3,8-11H,1-2,4-6H2,(H,18,21)
InChIKeyUAWBKVROIXISDE-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.00
Rot. Bonds3

About 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile

2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile (PubChem CID 51033830) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile
PubChem CID51033830
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile
SMILESN#CCC1(n2cc(-c3cnnc4[nH]ccc34)cn2)CCCC1
InChIInChI=1S/C16H16N6/c17-7-6-16(4-1-2-5-16)22-11-12(9-20-22)14-10-19-21-15-13(14)3-8-18-15/h3,8-11H,1-2,4-6H2,(H,18,21)
InChIKeyUAWBKVROIXISDE-UHFFFAOYSA-N
XLogP3.00
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(isocyanomethyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 88534497
2-[(1S,2S)-2-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile
CID 51034373
2-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-4-yl]acetonitrile
CID 57478053
2-[1-methylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129237027
2-[1-propan-2-ylsulfanyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 145324828
2-[1-cyclopropylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129236908
4-[3-(cyanomethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]-N-propan-2-ylbenzamide
CID 71143541
2-[1-ethylsulfonyl-3-[4-[2-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 167126037
4-phenyl-7H-pyrrolo[2,3-c]pyridazine
CID 51033832
2-[2,2-dideuterio-1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 73296779
1-[3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]ethanesulfinic acid
CID 155210813
2-[1-(4-methylcyclohexyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 145187220

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile?
The IUPAC name of 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile (CID 51033830) is 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile?
The canonical SMILES for 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile is N#CCC1(n2cc(-c3cnnc4[nH]ccc34)cn2)CCCC1.
What is the InChIKey of 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile?
The InChIKey is UAWBKVROIXISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c17-7-6-16(4-1-2-5-16)22-11-12(9-20-22)14-10-19-21-15-13(14)3-8-18-15/h3,8-11H,1-2,4-6H2,(H,18,21).
What are the key properties of 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile?
2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile has a molecular weight of 292.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]cyclopentyl]acetonitrile is sourced from PubChem (CID 51033830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).