N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N5O — CID 127040446

IUPACN-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn2c1
InChIInChI=1S/C19H21N5O/c1-11-7-21-17-15(8-22-24(17)9-11)18(25)23-16-13-2-12-3-14(16)6-19(4-12,5-13)10-20/h7-9,12-14,16H,2-6H2,1H3,(H,23,25)
InChIKeyVPQDQBKFNNLJTM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.49
Rot. Bonds2

About N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040446) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040446
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn2c1
InChIInChI=1S/C19H21N5O/c1-11-7-21-17-15(8-22-24(17)9-11)18(25)23-16-13-2-12-3-14(16)6-19(4-12,5-13)10-20/h7-9,12-14,16H,2-6H2,1H3,(H,23,25)
InChIKeyVPQDQBKFNNLJTM-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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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040446) is N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn2c1.
What is the InChIKey of N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VPQDQBKFNNLJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-11-7-21-17-15(8-22-24(17)9-11)18(25)23-16-13-2-12-3-14(16)6-19(4-12,5-13)10-20/h7-9,12-14,16H,2-6H2,1H3,(H,23,25).
What are the key properties of N-(5-cyano-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyano-2-adamantyl)-6-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)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).