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

C21H20N6O — CID 59603873

IUPACN-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCn1cc(-c2cnc3c(-c4ccc(C(=O)NC5CCC5)cc4)cnn3c2)cn1
InChIInChI=1S/C21H20N6O/c1-26-12-17(10-23-26)16-9-22-20-19(11-24-27(20)13-16)14-5-7-15(8-6-14)21(28)25-18-3-2-4-18/h5-13,18H,2-4H2,1H3,(H,25,28)
InChIKeyFXXRJMTYKQDKQG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.08
Rot. Bonds4

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

N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 59603873) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID59603873
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCn1cc(-c2cnc3c(-c4ccc(C(=O)NC5CCC5)cc4)cnn3c2)cn1
InChIInChI=1S/C21H20N6O/c1-26-12-17(10-23-26)16-9-22-20-19(11-24-27(20)13-16)14-5-7-15(8-6-14)21(28)25-18-3-2-4-18/h5-13,18H,2-4H2,1H3,(H,25,28)
InChIKeyFXXRJMTYKQDKQG-UHFFFAOYSA-N
XLogP3.08
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987
N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 155558700
N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59603870
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide
CID 142527646
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
2-amino-N-[(3R)-1-[4-(2,4-difluorophenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139580522
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-(2-phenoxyphenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326316
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66695708

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 59603873) is N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is Cn1cc(-c2cnc3c(-c4ccc(C(=O)NC5CCC5)cc4)cnn3c2)cn1.
What is the InChIKey of N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is FXXRJMTYKQDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-26-12-17(10-23-26)16-9-22-20-19(11-24-27(20)13-16)14-5-7-15(8-6-14)21(28)25-18-3-2-4-18/h5-13,18H,2-4H2,1H3,(H,25,28).
What are the key properties of N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 59603873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).