N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide

C20H30N4O2 — CID 30183629

IUPACN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N4O2/c1-13(2)24-17(3-6-22-24)23-18(25)4-5-21-19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h3,6,13-16H,4-5,7-12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyUTOYILFXAFDMIW-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.13
Rot. Bonds6

About N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide

N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide (PubChem CID 30183629) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide
PubChem CID30183629
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N4O2/c1-13(2)24-17(3-6-22-24)23-18(25)4-5-21-19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h3,6,13-16H,4-5,7-12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyUTOYILFXAFDMIW-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide (CID 30183629) is N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide is CC(C)n1nccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide?
The InChIKey is UTOYILFXAFDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)24-17(3-6-22-24)23-18(25)4-5-21-19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h3,6,13-16H,4-5,7-12H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide?
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide is sourced from PubChem (CID 30183629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).