N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C23H28N4O — CID 86925475

IUPACN-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cccc(CN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)C2CC2)c1
InChIInChI=1S/C23H28N4O/c1-15-6-5-7-19(12-15)14-26(20-8-9-20)23(28)11-10-21-17(3)24-22-13-16(2)25-27(22)18(21)4/h5-7,12-13,20H,8-11,14H2,1-4H3
InChIKeyVWOSZQTVEFILGU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.09
Rot. Bonds6

About N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 86925475) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID86925475
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cccc(CN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)C2CC2)c1
InChIInChI=1S/C23H28N4O/c1-15-6-5-7-19(12-15)14-26(20-8-9-20)23(28)11-10-21-17(3)24-22-13-16(2)25-27(22)18(21)4/h5-7,12-13,20H,8-11,14H2,1-4H3
InChIKeyVWOSZQTVEFILGU-UHFFFAOYSA-N
XLogP4.09
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 86925475) is N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cccc(CN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is VWOSZQTVEFILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-6-5-7-19(12-15)14-26(20-8-9-20)23(28)11-10-21-17(3)24-22-13-16(2)25-27(22)18(21)4/h5-7,12-13,20H,8-11,14H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 376.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 86925475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).