2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H33N5O2 — CID 3439504

IUPAC2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCCN2CCOCC2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H33N5O2/c1-5-7-17-16(15-23-19-14-18(21(2,3)4)24-26(17)19)20(27)22-8-6-9-25-10-12-28-13-11-25/h14-15H,5-13H2,1-4H3,(H,22,27)
InChIKeyWECLIXBDAYGTLM-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.43
Rot. Bonds7

About 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3439504) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3439504
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCCN2CCOCC2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H33N5O2/c1-5-7-17-16(15-23-19-14-18(21(2,3)4)24-26(17)19)20(27)22-8-6-9-25-10-12-28-13-11-25/h14-15H,5-13H2,1-4H3,(H,22,27)
InChIKeyWECLIXBDAYGTLM-UHFFFAOYSA-N
XLogP2.43
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-7-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4236035
2-tert-butyl-5-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079808
2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170481
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3905636
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
5-tert-butyl-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466422
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 71700298
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3439504) is 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCc1c(C(=O)NCCCN2CCOCC2)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WECLIXBDAYGTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-5-7-17-16(15-23-19-14-18(21(2,3)4)24-26(17)19)20(27)22-8-6-9-25-10-12-28-13-11-25/h14-15H,5-13H2,1-4H3,(H,22,27).
What are the key properties of 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3439504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).