N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide

C21H32N4O2 — CID 35440391

IUPACN-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCC(C)Cn1nccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N4O2/c1-14(2)13-25-18(3-6-23-25)24-19(26)4-5-22-20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h3,6,14-17H,4-5,7-13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyCYCZEGDLSBYYFC-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 35440391) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID35440391
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCC(C)Cn1nccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N4O2/c1-14(2)13-25-18(3-6-23-25)24-19(26)4-5-22-20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h3,6,14-17H,4-5,7-13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyCYCZEGDLSBYYFC-UHFFFAOYSA-N
XLogP3.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide (CID 35440391) is N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide is CC(C)Cn1nccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is CYCZEGDLSBYYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-14(2)13-25-18(3-6-23-25)24-19(26)4-5-22-20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h3,6,14-17H,4-5,7-13H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 35440391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).