2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C17H26N4O — CID 5097942

IUPAC2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(C)C(C)C)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C17H26N4O/c1-10(2)11(3)19-16(22)13-9-18-15-8-14(17(5,6)7)20-21(15)12(13)4/h8-11H,1-7H3,(H,19,22)
InChIKeyXZPUNOVFAKESHM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.11
Rot. Bonds3

About 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 5097942) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID5097942
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(C)C(C)C)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C17H26N4O/c1-10(2)11(3)19-16(22)13-9-18-15-8-14(17(5,6)7)20-21(15)12(13)4/h8-11H,1-7H3,(H,19,22)
InChIKeyXZPUNOVFAKESHM-UHFFFAOYSA-N
XLogP3.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7419548
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811830
2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7327903
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125421805
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
CID 43725802
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 5097942) is 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NC(C)C(C)C)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XZPUNOVFAKESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-10(2)11(3)19-16(22)13-9-18-15-8-14(17(5,6)7)20-21(15)12(13)4/h8-11H,1-7H3,(H,19,22).
What are the key properties of 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5097942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).