2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C22H24N4O2 — CID 134806484

IUPAC2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCOc1ccccc1CN1CCCn2nc(C)c(-c3ccccc3C(N)=O)c21
InChIInChI=1S/C22H24N4O2/c1-15-20(17-9-4-5-10-18(17)21(23)27)22-25(12-7-13-26(22)24-15)14-16-8-3-6-11-19(16)28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H2,23,27)
InChIKeyFEBVWCYMSDKLIB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 134806484) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID134806484
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCOc1ccccc1CN1CCCn2nc(C)c(-c3ccccc3C(N)=O)c21
InChIInChI=1S/C22H24N4O2/c1-15-20(17-9-4-5-10-18(17)21(23)27)22-25(12-7-13-26(22)24-15)14-16-8-3-6-11-19(16)28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H2,23,27)
InChIKeyFEBVWCYMSDKLIB-UHFFFAOYSA-N
XLogP3.38
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
1-Benzyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462319
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)propan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983756
2-(3-Methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983710
US9447106, 133a (peak 1)
CID 137228122
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026588
2-methoxy-N-{1-[1-(2,4,5-trimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24791449
[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
CID 122195700
(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195702
(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195703
2-(3-fluorophenyl)-1-[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134806775
(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962965

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 134806484) is 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is COc1ccccc1CN1CCCn2nc(C)c(-c3ccccc3C(N)=O)c21.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is FEBVWCYMSDKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-20(17-9-4-5-10-18(17)21(23)27)22-25(12-7-13-26(22)24-15)14-16-8-3-6-11-19(16)28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H2,23,27).
What are the key properties of 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 134806484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).