N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide

C18H27N3O — CID 110717149

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-11-16(12(2)21-20-11)3-4-19-17(22)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,3-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMGWBAMZWOBPPDF-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110717149) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
PubChem CID110717149
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-11-16(12(2)21-20-11)3-4-19-17(22)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,3-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMGWBAMZWOBPPDF-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 110717086
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 71789691
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 112529992
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
CID 119069467
N-[3-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 56562547
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717151
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide
CID 110400946
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 86285451
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide (CID 110717149) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is MGWBAMZWOBPPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-11-16(12(2)21-20-11)3-4-19-17(22)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,3-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110717149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).