6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one

C19H27N5O — CID 126865435

IUPAC6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1cnn(CCN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)c1
InChIInChI=1S/C19H27N5O/c1-15-12-20-23(13-15)11-10-22-8-6-16(7-9-22)14-24-19(25)5-4-18(21-24)17-2-3-17/h4-5,12-13,16-17H,2-3,6-11,14H2,1H3
InChIKeyCJGADVDQGOUXRU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.04
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865435) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865435
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1cnn(CCN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)c1
InChIInChI=1S/C19H27N5O/c1-15-12-20-23(13-15)11-10-22-8-6-16(7-9-22)14-24-19(25)5-4-18(21-24)17-2-3-17/h4-5,12-13,16-17H,2-3,6-11,14H2,1H3
InChIKeyCJGADVDQGOUXRU-UHFFFAOYSA-N
XLogP2.04
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
6-tert-butyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927932
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865345
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864046
6-cyclopropyl-2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865336
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865563
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928790

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126865435) is 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1cnn(CCN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)c1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is CJGADVDQGOUXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-12-20-23(13-15)11-10-22-8-6-16(7-9-22)14-24-19(25)5-4-18(21-24)17-2-3-17/h4-5,12-13,16-17H,2-3,6-11,14H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).