2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H21N5O — CID 811830

IUPAC2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C18H21N5O/c1-12-14(17(24)21-10-13-7-5-6-8-19-13)11-20-16-9-15(18(2,3)4)22-23(12)16/h5-9,11H,10H2,1-4H3,(H,21,24)
InChIKeyFAZWYYYNPNXYLE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.66
Rot. Bonds3

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

2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 811830) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID811830
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C18H21N5O/c1-12-14(17(24)21-10-13-7-5-6-8-19-13)11-20-16-9-15(18(2,3)4)22-23(12)16/h5-9,11H,10H2,1-4H3,(H,21,24)
InChIKeyFAZWYYYNPNXYLE-UHFFFAOYSA-N
XLogP2.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3985689
2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118786887
6-methyl-4-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81236822
4-hydrazinyl-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81255827
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 811830) is 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccccn2)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FAZWYYYNPNXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-14(17(24)21-10-13-7-5-6-8-19-13)11-20-16-9-15(18(2,3)4)22-23(12)16/h5-9,11H,10H2,1-4H3,(H,21,24).
What are the key properties of 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 811830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).