2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid

C16H21N3O3 — CID 19482430

IUPAC2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21N3O3/c20-14(21)8-19-13(1-2-17-19)16(22)18-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,18,22)(H,20,21)
InChIKeyWPIIXZJWFNDTCZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.52
Rot. Bonds4

About 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid

2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19482430) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19482430
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21N3O3/c20-14(21)8-19-13(1-2-17-19)16(22)18-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,18,22)(H,20,21)
InChIKeyWPIIXZJWFNDTCZ-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482446
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482640
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
3-[5-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19489971
2-[4-(2-adamantylamino)-5-chloro-6-oxopyridazin-1-yl]acetic acid
CID 59574350
2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
CID 119069614
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482443
2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482452
N-(2-adamantyl)-1-phenylimidazole-4-carboxamide
CID 58695734
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482723
2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19470917

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19482430) is 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is WPIIXZJWFNDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14(21)8-19-13(1-2-17-19)16(22)18-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,18,22)(H,20,21).
What are the key properties of 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).