3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C13H15N5O2 — CID 95845426

IUPAC3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H15N5O2/c1-8-6-14-17-12(8)9-4-5-18(7-9)13(20)10-2-3-11(19)16-15-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,17)(H,16,19)/t9-/m0/s1
InChIKeyULHHMWSCJZCNER-VIFPVBQESA-N
MW273.30 g/mol
LogP0.43
Rot. Bonds2

About 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 95845426) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID95845426
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H15N5O2/c1-8-6-14-17-12(8)9-4-5-18(7-9)13(20)10-2-3-11(19)16-15-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,17)(H,16,19)/t9-/m0/s1
InChIKeyULHHMWSCJZCNER-VIFPVBQESA-N
XLogP0.43
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
1,3-benzodioxol-5-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124961819
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 95845426) is 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ULHHMWSCJZCNER-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-6-14-17-12(8)9-4-5-18(7-9)13(20)10-2-3-11(19)16-15-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,17)(H,16,19)/t9-/m0/s1.
What are the key properties of 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 273.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 95845426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).