N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide

C21H32N4O3 — CID 163947914

IUPACN-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide
SMILESCC(C)Oc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1CC(=O)N(C)C
InChIInChI=1S/C21H32N4O3/c1-13(2)28-20-17(11-22-25(20)12-18(26)24(3)4)19(27)23-21-8-14-5-15(9-21)7-16(6-14)10-21/h11,13-16H,5-10,12H2,1-4H3,(H,23,27)
InChIKeyRWTRMJJTWJTICR-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.46
Rot. Bonds6

About N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide

N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide (PubChem CID 163947914) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide
PubChem CID163947914
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide
SMILESCC(C)Oc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1CC(=O)N(C)C
InChIInChI=1S/C21H32N4O3/c1-13(2)28-20-17(11-22-25(20)12-18(26)24(3)4)19(27)23-21-8-14-5-15(9-21)7-16(6-14)10-21/h11,13-16H,5-10,12H2,1-4H3,(H,23,27)
InChIKeyRWTRMJJTWJTICR-UHFFFAOYSA-N
XLogP2.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
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CID 68502715
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N-[1-(3-bicyclo[3.3.1]nonanyl)ethyl]-1-[3,3-dimethyl-4-[2-(methylamino)ethylamino]-4-oxobutyl]-5-propan-2-yloxypyrazole-4-carboxamide
CID 71069091
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CID 4811965
methyl N-[(E)-4-[4-[(3-hydroxy-1-adamantyl)carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methylbut-3-en-2-yl]carbamate
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N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide (CID 163947914) is N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide is CC(C)Oc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1CC(=O)N(C)C.
What is the InChIKey of N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide?
The InChIKey is RWTRMJJTWJTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-13(2)28-20-17(11-22-25(20)12-18(26)24(3)4)19(27)23-21-8-14-5-15(9-21)7-16(6-14)10-21/h11,13-16H,5-10,12H2,1-4H3,(H,23,27).
What are the key properties of N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide?
N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[2-(dimethylamino)-2-oxoethyl]-5-propan-2-yloxypyrazole-4-carboxamide is sourced from PubChem (CID 163947914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).