3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one

C12H15N5O2 — CID 154863873

IUPAC3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C(=O)N2CCC(c3cnc[nH]3)CC2)=NN1
InChIInChI=1S/C12H15N5O2/c18-11-5-9(15-16-11)12(19)17-3-1-8(2-4-17)10-6-13-7-14-10/h6-8H,1-5H2,(H,13,14)(H,16,18)
InChIKeyCRDKDAAFLKFQNC-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.01
Rot. Bonds2

About 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one

3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one (PubChem CID 154863873) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
PubChem CID154863873
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C(=O)N2CCC(c3cnc[nH]3)CC2)=NN1
InChIInChI=1S/C12H15N5O2/c18-11-5-9(15-16-11)12(19)17-3-1-8(2-4-17)10-6-13-7-14-10/h6-8H,1-5H2,(H,13,14)(H,16,18)
InChIKeyCRDKDAAFLKFQNC-UHFFFAOYSA-N
XLogP-0.01
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
CID 19097445
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093333
4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
CID 100641520
[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941971
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
CID 172873053
3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)-1,4-dihydropyrazol-5-one
CID 154860513
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43582931
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 167786912
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
CID 166204958
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
CID 167991940
N-benzyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
CID 10685638

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one (CID 154863873) is 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one is O=C1CC(C(=O)N2CCC(c3cnc[nH]3)CC2)=NN1.
What is the InChIKey of 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one?
The InChIKey is CRDKDAAFLKFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-11-5-9(15-16-11)12(19)17-3-1-8(2-4-17)10-6-13-7-14-10/h6-8H,1-5H2,(H,13,14)(H,16,18).
What are the key properties of 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one?
3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one has a molecular weight of 261.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 154863873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).