4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

C18H19N7O — CID 51034833

IUPAC4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESN#CC[C@H](C1CCCC1)n1cc(-c2c(C(N)=O)nnc3[nH]ccc23)cn1
InChIInChI=1S/C18H19N7O/c19-7-5-14(11-3-1-2-4-11)25-10-12(9-22-25)15-13-6-8-21-18(13)24-23-16(15)17(20)26/h6,8-11,14H,1-5H2,(H2,20,26)(H,21,24)/t14-/m1/s1
InChIKeyQSSBQKBFQMQLHA-CQSZACIVSA-N
MW349.40 g/mol
LogP2.57
Rot. Bonds5

About 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 51034833) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID51034833
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESN#CC[C@H](C1CCCC1)n1cc(-c2c(C(N)=O)nnc3[nH]ccc23)cn1
InChIInChI=1S/C18H19N7O/c19-7-5-14(11-3-1-2-4-11)25-10-12(9-22-25)15-13-6-8-21-18(13)24-23-16(15)17(20)26/h6,8-11,14H,1-5H2,(H2,20,26)(H,21,24)/t14-/m1/s1
InChIKeyQSSBQKBFQMQLHA-CQSZACIVSA-N
XLogP2.57
TPSA126.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide with MolForge

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Related Compounds

4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138597587
but-2-enedioic acid;3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 74388868
(3S)-3-cyclobutyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
CID 53372673
4-[1-(1-cyclopentylbut-3-ynyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 86613013
3-[(1R,3R)-3-hydroxycyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 59556202
4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 70649553
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanoic acid
CID 130203785
[4-[1-(1-cyclopentylbut-3-ynyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl] 2,2,2-trifluoroacetate
CID 87388207
4-[[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]methyl]benzamide
CID 91561358
N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
CID 121427552
3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-[3-(trifluoromethyl)cyclobutyl]propanenitrile
CID 176734774
[4-[1-(2-cyano-1-cyclohexylethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridazin-7-yl]methyl 2,2-dimethylpropanoate
CID 67056895

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (CID 51034833) is 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is N#CC[C@H](C1CCCC1)n1cc(-c2c(C(N)=O)nnc3[nH]ccc23)cn1.
What is the InChIKey of 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is QSSBQKBFQMQLHA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N7O/c19-7-5-14(11-3-1-2-4-11)25-10-12(9-22-25)15-13-6-8-21-18(13)24-23-16(15)17(20)26/h6,8-11,14H,1-5H2,(H2,20,26)(H,21,24)/t14-/m1/s1.
What are the key properties of 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 51034833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).