N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide

C19H21N3O — CID 68962155

IUPACN-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nnc2cccccc1-2
InChIInChI=1S/C19H21N3O/c23-18(17-15-4-2-1-3-5-16(15)21-22-17)20-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,20,23)
InChIKeyVUUHIWBUZXCTON-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.28
Rot. Bonds2

About N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide

N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide (PubChem CID 68962155) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide
PubChem CID68962155
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nnc2cccccc1-2
InChIInChI=1S/C19H21N3O/c23-18(17-15-4-2-1-3-5-16(15)21-22-17)20-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,20,23)
InChIKeyVUUHIWBUZXCTON-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide (CID 68962155) is N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nnc2cccccc1-2.
What is the InChIKey of N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide?
The InChIKey is VUUHIWBUZXCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18(17-15-4-2-1-3-5-16(15)21-22-17)20-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,20,23).
What are the key properties of N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide?
N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 68962155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).