3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H14N6O3 — CID 167917051

IUPAC3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1c[nH]n2c(=O)ccnc12)N1CC(O)(Cc2ccn[nH]2)C1
InChIInChI=1S/C14H14N6O3/c21-11-2-3-15-12-10(6-17-20(11)12)13(22)19-7-14(23,8-19)5-9-1-4-16-18-9/h1-4,6,17,23H,5,7-8H2,(H,16,18)
InChIKeyYMETYEZGDYGNSP-UHFFFAOYSA-N
MW314.31 g/mol
LogP-0.82
Rot. Bonds3

About 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 167917051) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID167917051
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1c[nH]n2c(=O)ccnc12)N1CC(O)(Cc2ccn[nH]2)C1
InChIInChI=1S/C14H14N6O3/c21-11-2-3-15-12-10(6-17-20(11)12)13(22)19-7-14(23,8-19)5-9-1-4-16-18-9/h1-4,6,17,23H,5,7-8H2,(H,16,18)
InChIKeyYMETYEZGDYGNSP-UHFFFAOYSA-N
XLogP-0.82
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146084317
1-(1H-pyrazol-5-ylmethyl)cyclopentan-1-ol
CID 57455640
3-(4-chloropyrazol-1-yl)-1-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidin-1-yl]propan-1-one
CID 167881017
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 80706631
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138993943
1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 137342524
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]-3-(1H-pyrazol-5-yl)propanoic acid
CID 166279263
5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106403
3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43817822
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753419
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 167917051) is 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(c1c[nH]n2c(=O)ccnc12)N1CC(O)(Cc2ccn[nH]2)C1.
What is the InChIKey of 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YMETYEZGDYGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c21-11-2-3-15-12-10(6-17-20(11)12)13(22)19-7-14(23,8-19)5-9-1-4-16-18-9/h1-4,6,17,23H,5,7-8H2,(H,16,18).
What are the key properties of 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 314.31 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167917051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).