N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide

C17H25N3O — CID 4124487

IUPACN-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-11-15(10-19(2)18-11)16(21)20(3)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,4-9H2,1-3H3
InChIKeyOKEBJVXDBOVROB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds2

About N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide

N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 4124487) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID4124487
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-11-15(10-19(2)18-11)16(21)20(3)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,4-9H2,1-3H3
InChIKeyOKEBJVXDBOVROB-UHFFFAOYSA-N
XLogP2.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide (CID 4124487) is N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is OKEBJVXDBOVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-15(10-19(2)18-11)16(21)20(3)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,4-9H2,1-3H3.
What are the key properties of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4124487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).