2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H21N5O — CID 126923300

IUPAC2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1Cc1cn[nH]c1C1CC1
InChIInChI=1S/C16H21N5O/c22-15-4-1-7-18-21(15)11-14-3-2-8-20(14)10-13-9-17-19-16(13)12-5-6-12/h1,4,7,9,12,14H,2-3,5-6,8,10-11H2,(H,17,19)
InChIKeyNXRVYRNPQJAHLN-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.51
Rot. Bonds5

About 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923300) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923300
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1Cc1cn[nH]c1C1CC1
InChIInChI=1S/C16H21N5O/c22-15-4-1-7-18-21(15)11-14-3-2-8-20(14)10-13-9-17-19-16(13)12-5-6-12/h1,4,7,9,12,14H,2-3,5-6,8,10-11H2,(H,17,19)
InChIKeyNXRVYRNPQJAHLN-UHFFFAOYSA-N
XLogP1.51
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923188
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923237
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308
4-[2-[2-[(6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126923305
2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923278
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923210
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923300) is 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1Cc1cn[nH]c1C1CC1.
What is the InChIKey of 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is NXRVYRNPQJAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-15-4-1-7-18-21(15)11-14-3-2-8-20(14)10-13-9-17-19-16(13)12-5-6-12/h1,4,7,9,12,14H,2-3,5-6,8,10-11H2,(H,17,19).
What are the key properties of 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 299.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).