2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C25H33N5O2 — CID 46079938

IUPAC2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCCC3)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C25H33N5O2/c1-25(2,3)22-17-23-27-20(18-8-10-19(32-4)11-9-18)16-21(30(23)28-22)24(31)26-12-15-29-13-6-5-7-14-29/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,26,31)
InChIKeyGGXMSJNKVWQNFV-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.92
Rot. Bonds6

About 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079938) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079938
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCCC3)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C25H33N5O2/c1-25(2,3)22-17-23-27-20(18-8-10-19(32-4)11-9-18)16-21(30(23)28-22)24(31)26-12-15-29-13-6-5-7-14-29/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,26,31)
InChIKeyGGXMSJNKVWQNFV-UHFFFAOYSA-N
XLogP3.92
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170481
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
2-tert-butyl-5-(3-methoxyphenyl)-N-pentylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080003
3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 46105482
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758609
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
tert-butyl N-[6-[[2-tert-butyl-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]hexyl]carbamate
CID 42882271
2-tert-butyl-5-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079808
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079938) is 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc(C(=O)NCCN3CCCCC3)n3nc(C(C)(C)C)cc3n2)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is GGXMSJNKVWQNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-25(2,3)22-17-23-27-20(18-8-10-19(32-4)11-9-18)16-21(30(23)28-22)24(31)26-12-15-29-13-6-5-7-14-29/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,26,31).
What are the key properties of 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).