5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H17N5O3 — CID 110106403

IUPAC5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C14H17N5O3/c20-12-11(7-15-14(22)17-12)13(21)19-5-1-2-9(8-19)6-10-3-4-16-18-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)(H2,15,17,20,22)
InChIKeyOZWGAUJYACFHPD-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.12
Rot. Bonds3

About 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 110106403) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID110106403
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C14H17N5O3/c20-12-11(7-15-14(22)17-12)13(21)19-5-1-2-9(8-19)6-10-3-4-16-18-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)(H2,15,17,20,22)
InChIKeyOZWGAUJYACFHPD-UHFFFAOYSA-N
XLogP-0.12
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125025980
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266
3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 110106403) is 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(Cc2ccn[nH]2)C1.
What is the InChIKey of 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OZWGAUJYACFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-12-11(7-15-14(22)17-12)13(21)19-5-1-2-9(8-19)6-10-3-4-16-18-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)(H2,15,17,20,22).
What are the key properties of 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110106403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).