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

C24H27N3O2 — CID 134805143

IUPAC2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
SMILESCc1nn2c(c1-c1ccccc1OCc1ccccc1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C24H27N3O2/c1-17(2)24(28)26-14-9-15-27-23(26)22(18(3)25-27)20-12-7-8-13-21(20)29-16-19-10-5-4-6-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3
InChIKeyKVXJZSUZAOWOAJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.83
Rot. Bonds5

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

2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one (PubChem CID 134805143) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
PubChem CID134805143
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
SMILESCc1nn2c(c1-c1ccccc1OCc1ccccc1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C24H27N3O2/c1-17(2)24(28)26-14-9-15-27-23(26)22(18(3)25-27)20-12-7-8-13-21(20)29-16-19-10-5-4-6-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3
InChIKeyKVXJZSUZAOWOAJ-UHFFFAOYSA-N
XLogP4.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one (CID 134805143) is 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one is Cc1nn2c(c1-c1ccccc1OCc1ccccc1)N(C(=O)C(C)C)CCC2.
What is the InChIKey of 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The InChIKey is KVXJZSUZAOWOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(2)24(28)26-14-9-15-27-23(26)22(18(3)25-27)20-12-7-8-13-21(20)29-16-19-10-5-4-6-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3.
What are the key properties of 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one is sourced from PubChem (CID 134805143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).