N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C22H22N6O — CID 59603870

IUPACN-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCC(NC(=O)c1cccc(-c2cnn3cc(-c4cnn(C)c4)cnc23)c1)C1CC1
InChIInChI=1S/C22H22N6O/c1-14(15-6-7-15)26-22(29)17-5-3-4-16(8-17)20-11-25-28-13-18(9-23-21(20)28)19-10-24-27(2)12-19/h3-5,8-15H,6-7H2,1-2H3,(H,26,29)
InChIKeyCTEREYSOWYYORJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.33
Rot. Bonds5

About N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 59603870) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID59603870
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCC(NC(=O)c1cccc(-c2cnn3cc(-c4cnn(C)c4)cnc23)c1)C1CC1
InChIInChI=1S/C22H22N6O/c1-14(15-6-7-15)26-22(29)17-5-3-4-16(8-17)20-11-25-28-13-18(9-23-21(20)28)19-10-24-27(2)12-19/h3-5,8-15H,6-7H2,1-2H3,(H,26,29)
InChIKeyCTEREYSOWYYORJ-UHFFFAOYSA-N
XLogP3.33
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 59603870) is N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is CC(NC(=O)c1cccc(-c2cnn3cc(-c4cnn(C)c4)cnc23)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is CTEREYSOWYYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14(15-6-7-15)26-22(29)17-5-3-4-16(8-17)20-11-25-28-13-18(9-23-21(20)28)19-10-24-27(2)12-19/h3-5,8-15H,6-7H2,1-2H3,(H,26,29).
What are the key properties of N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 59603870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).