N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide

C17H24ClN3O — CID 19266823

IUPACN-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)nn1C
InChIInChI=1S/C17H24ClN3O/c1-10-14(18)15(20-21(10)2)16(22)19-9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-9H2,1-2H3,(H,19,22)
InChIKeyOZQXLIQMEWRVHZ-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.33
Rot. Bonds3

About N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide

N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266823) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266823
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)nn1C
InChIInChI=1S/C17H24ClN3O/c1-10-14(18)15(20-21(10)2)16(22)19-9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-9H2,1-2H3,(H,19,22)
InChIKeyOZQXLIQMEWRVHZ-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide (CID 19266823) is N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)nn1C.
What is the InChIKey of N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OZQXLIQMEWRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-10-14(18)15(20-21(10)2)16(22)19-9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-9H2,1-2H3,(H,19,22).
What are the key properties of N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-chloro-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).