N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N5O — CID 127040448

IUPACN-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccnc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn12
InChIInChI=1S/C19H21N5O/c1-11-2-3-21-17-15(9-22-24(11)17)18(25)23-16-13-4-12-5-14(16)8-19(6-12,7-13)10-20/h2-3,9,12-14,16H,4-8H2,1H3,(H,23,25)
InChIKeyHFPWXYWWVQHMJI-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.49
Rot. Bonds2

About N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040448) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040448
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccnc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn12
InChIInChI=1S/C19H21N5O/c1-11-2-3-21-17-15(9-22-24(11)17)18(25)23-16-13-4-12-5-14(16)8-19(6-12,7-13)10-20/h2-3,9,12-14,16H,4-8H2,1H3,(H,23,25)
InChIKeyHFPWXYWWVQHMJI-UHFFFAOYSA-N
XLogP2.49
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylcyclohexyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907761
N-(2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414526
N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037647
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649
7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037668
N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127038025
N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040446
N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040449
N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040450
6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040451
N-(5-hydroxy-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040750
N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040764

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040448) is N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccnc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn12.
What is the InChIKey of N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HFPWXYWWVQHMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-11-2-3-21-17-15(9-22-24(11)17)18(25)23-16-13-4-12-5-14(16)8-19(6-12,7-13)10-20/h2-3,9,12-14,16H,4-8H2,1H3,(H,23,25).
What are the key properties of N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).