N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide

C20H26N6O — CID 25225402

IUPACN-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2nccnc2N)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N6O/c1-12-16(10-26(25-12)18-17(21)22-2-3-23-18)19(27)24-11-20-7-13-4-14(8-20)6-15(5-13)9-20/h2-3,10,13-15H,4-9,11H2,1H3,(H2,21,22)(H,24,27)
InChIKeyKNFOJKHGPVTQTQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.50
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide

N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide (PubChem CID 25225402) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide
PubChem CID25225402
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2nccnc2N)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N6O/c1-12-16(10-26(25-12)18-17(21)22-2-3-23-18)19(27)24-11-20-7-13-4-14(8-20)6-15(5-13)9-20/h2-3,10,13-15H,4-9,11H2,1H3,(H2,21,22)(H,24,27)
InChIKeyKNFOJKHGPVTQTQ-UHFFFAOYSA-N
XLogP2.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide (CID 25225402) is N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2nccnc2N)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide?
The InChIKey is KNFOJKHGPVTQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-12-16(10-26(25-12)18-17(21)22-2-3-23-18)19(27)24-11-20-7-13-4-14(8-20)6-15(5-13)9-20/h2-3,10,13-15H,4-9,11H2,1H3,(H2,21,22)(H,24,27).
What are the key properties of N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide?
N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 25225402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).