N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C22H25N5O — CID 139431404

IUPACN-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1
InChIInChI=1S/C22H25N5O/c1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26)
InChIKeyYMVRUODXJPPOFN-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.66
Rot. Bonds3

About N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431404) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431404
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1
InChIInChI=1S/C22H25N5O/c1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26)
InChIKeyYMVRUODXJPPOFN-UHFFFAOYSA-N
XLogP3.66
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431404) is N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1.
What is the InChIKey of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is YMVRUODXJPPOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).