N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide

C17H24N4O2 — CID 68618500

IUPACN-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)nn1C
InChIInChI=1S/C17H24N4O2/c1-10-3-13(20-21(10)2)14(22)19-17-7-11-4-12(8-17)6-16(5-11,9-17)15(18)23/h3,11-12H,4-9H2,1-2H3,(H2,18,23)(H,19,22)
InChIKeyDAMGIGSEHHTEBU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.28
Rot. Bonds3

About N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide

N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 68618500) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID68618500
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)nn1C
InChIInChI=1S/C17H24N4O2/c1-10-3-13(20-21(10)2)14(22)19-17-7-11-4-12(8-17)6-16(5-11,9-17)15(18)23/h3,11-12H,4-9H2,1-2H3,(H2,18,23)(H,19,22)
InChIKeyDAMGIGSEHHTEBU-UHFFFAOYSA-N
XLogP1.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide (CID 68618500) is N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)nn1C.
What is the InChIKey of N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DAMGIGSEHHTEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10-3-13(20-21(10)2)14(22)19-17-7-11-4-12(8-17)6-16(5-11,9-17)15(18)23/h3,11-12H,4-9H2,1-2H3,(H2,18,23)(H,19,22).
What are the key properties of N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-adamantyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 68618500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).