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

C23H26N4O — CID 134806840

IUPAC2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCc1nn2c(c1-c1ccccc1C(N)=O)N(CCCc1ccccc1)CCC2
InChIInChI=1S/C23H26N4O/c1-17-21(19-12-5-6-13-20(19)22(24)28)23-26(15-8-16-27(23)25-17)14-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H2,24,28)
InChIKeyWDOZJLVUMYJWBU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.80
Rot. Bonds6

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

2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 134806840) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID134806840
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCc1nn2c(c1-c1ccccc1C(N)=O)N(CCCc1ccccc1)CCC2
InChIInChI=1S/C23H26N4O/c1-17-21(19-12-5-6-13-20(19)22(24)28)23-26(15-8-16-27(23)25-17)14-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H2,24,28)
InChIKeyWDOZJLVUMYJWBU-UHFFFAOYSA-N
XLogP3.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 134806840) is 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is Cc1nn2c(c1-c1ccccc1C(N)=O)N(CCCc1ccccc1)CCC2.
What is the InChIKey of 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is WDOZJLVUMYJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-21(19-12-5-6-13-20(19)22(24)28)23-26(15-8-16-27(23)25-17)14-7-11-18-9-3-2-4-10-18/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H2,24,28).
What are the key properties of 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 134806840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).