N-(2-adamantyl)-1H-pyrazole-4-carboxamide

C14H19N3O — CID 61273674

IUPACN-(2-adamantyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cn[nH]c1
InChIInChI=1S/C14H19N3O/c18-14(12-6-15-16-7-12)17-13-10-2-8-1-9(4-10)5-11(13)3-8/h6-11,13H,1-5H2,(H,15,16)(H,17,18)
InChIKeyVWGQZDPVPPWYOQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.96
Rot. Bonds2

About N-(2-adamantyl)-1H-pyrazole-4-carboxamide

N-(2-adamantyl)-1H-pyrazole-4-carboxamide (PubChem CID 61273674) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-adamantyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1H-pyrazole-4-carboxamide
PubChem CID61273674
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(2-adamantyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cn[nH]c1
InChIInChI=1S/C14H19N3O/c18-14(12-6-15-16-7-12)17-13-10-2-8-1-9(4-10)5-11(13)3-8/h6-11,13H,1-5H2,(H,15,16)(H,17,18)
InChIKeyVWGQZDPVPPWYOQ-UHFFFAOYSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1H-pyrazole-4-carboxamide (CID 61273674) is N-(2-adamantyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1H-pyrazole-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cn[nH]c1.
What is the InChIKey of N-(2-adamantyl)-1H-pyrazole-4-carboxamide?
The InChIKey is VWGQZDPVPPWYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(12-6-15-16-7-12)17-13-10-2-8-1-9(4-10)5-11(13)3-8/h6-11,13H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of N-(2-adamantyl)-1H-pyrazole-4-carboxamide?
N-(2-adamantyl)-1H-pyrazole-4-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61273674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).