5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

C9H13N3O2 — CID 112513808

IUPAC5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCCCC1
InChIInChI=1S/C9H13N3O2/c13-8-6-7(10-11-8)9(14)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13)
InChIKeyUFHQWNDTCLDMJT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.33
Rot. Bonds1

About 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 112513808) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID112513808
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCCCC1
InChIInChI=1S/C9H13N3O2/c13-8-6-7(10-11-8)9(14)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13)
InChIKeyUFHQWNDTCLDMJT-UHFFFAOYSA-N
XLogP0.33
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513810
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513842
5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
CID 95719495
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126

Frequently Asked Questions

What is the IUPAC name of 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 112513808) is 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is O=C(c1cc(=O)[nH][nH]1)N1CCCCC1.
What is the InChIKey of 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is UFHQWNDTCLDMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-6-7(10-11-8)9(14)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13).
What are the key properties of 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 195.22 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 112513808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).