4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide

C18H21N5O3 — CID 137253253

IUPAC4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnn2c1NCCC2)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N5O3/c24-17(21-15-12-20-23-7-1-6-19-16(15)23)13-2-4-14(5-3-13)18(25)22-8-10-26-11-9-22/h2-5,12,19H,1,6-11H2,(H,21,24)
InChIKeyUSTWHVZCOWYAQA-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.42
Rot. Bonds3

About 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide

4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide (PubChem CID 137253253) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
PubChem CID137253253
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnn2c1NCCC2)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N5O3/c24-17(21-15-12-20-23-7-1-6-19-16(15)23)13-2-4-14(5-3-13)18(25)22-8-10-26-11-9-22/h2-5,12,19H,1,6-11H2,(H,21,24)
InChIKeyUSTWHVZCOWYAQA-UHFFFAOYSA-N
XLogP1.42
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522
N-(3-methoxy-2-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)benzamide
CID 157018336
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 156586902
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
(4aR,6S,8aR)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 154820275
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide (CID 137253253) is 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide is O=C(Nc1cnn2c1NCCC2)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
The InChIKey is USTWHVZCOWYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-17(21-15-12-20-23-7-1-6-19-16(15)23)13-2-4-14(5-3-13)18(25)22-8-10-26-11-9-22/h2-5,12,19H,1,6-11H2,(H,21,24).
What are the key properties of 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide?
4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 137253253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).