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

C17H18N6O — CID 77439930

IUPAC3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile
SMILESN#CCC(C1CCC(O)C1)n1cc(-c2cnnc3[nH]ccc23)cn1
InChIInChI=1S/C17H18N6O/c18-5-3-16(11-1-2-13(24)7-11)23-10-12(8-21-23)15-9-20-22-17-14(15)4-6-19-17/h4,6,8-11,13,16,24H,1-3,7H2,(H,19,22)
InChIKeyRWJZPYLNFAZUPN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.44
Rot. Bonds4

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

3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile (PubChem CID 77439930) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile
PubChem CID77439930
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile
SMILESN#CCC(C1CCC(O)C1)n1cc(-c2cnnc3[nH]ccc23)cn1
InChIInChI=1S/C17H18N6O/c18-5-3-16(11-1-2-13(24)7-11)23-10-12(8-21-23)15-9-20-22-17-14(15)4-6-19-17/h4,6,8-11,13,16,24H,1-3,7H2,(H,19,22)
InChIKeyRWJZPYLNFAZUPN-UHFFFAOYSA-N
XLogP2.44
TPSA103.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile (CID 77439930) is 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile is N#CCC(C1CCC(O)C1)n1cc(-c2cnnc3[nH]ccc23)cn1.
What is the InChIKey of 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile?
The InChIKey is RWJZPYLNFAZUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-5-3-16(11-1-2-13(24)7-11)23-10-12(8-21-23)15-9-20-22-17-14(15)4-6-19-17/h4,6,8-11,13,16,24H,1-3,7H2,(H,19,22).
What are the key properties of 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile?
3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 322.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 77439930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).