3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H18N4O3 — CID 167774503

IUPAC3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCC1CCN(C(=O)c2c[nH]n3c(=O)cc(C)nc23)C1
InChIInChI=1S/C14H18N4O3/c1-9-5-12(19)18-13(16-9)11(6-15-18)14(20)17-4-3-10(7-17)8-21-2/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyMQEWOKXLRBPAOJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.44
Rot. Bonds3

About 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 167774503) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID167774503
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCC1CCN(C(=O)c2c[nH]n3c(=O)cc(C)nc23)C1
InChIInChI=1S/C14H18N4O3/c1-9-5-12(19)18-13(16-9)11(6-15-18)14(20)17-4-3-10(7-17)8-21-2/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyMQEWOKXLRBPAOJ-UHFFFAOYSA-N
XLogP0.44
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

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-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
(3-bromo-2-methylphenyl)-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 97054377
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 65310292

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 167774503) is 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCC1CCN(C(=O)c2c[nH]n3c(=O)cc(C)nc23)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MQEWOKXLRBPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-5-12(19)18-13(16-9)11(6-15-18)14(20)17-4-3-10(7-17)8-21-2/h5-6,10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 290.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167774503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).