N-(2-adamantyl)-1-ethylpyrazol-4-amine

C15H23N3 — CID 43621713

IUPACN-(2-adamantyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C15H23N3/c1-2-18-9-14(8-16-18)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,2-7H2,1H3
InChIKeySRKXARBMIGEHQT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.14
Rot. Bonds3

About N-(2-adamantyl)-1-ethylpyrazol-4-amine

N-(2-adamantyl)-1-ethylpyrazol-4-amine (PubChem CID 43621713) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-adamantyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-1-ethylpyrazol-4-amine
PubChem CID43621713
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(2-adamantyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C15H23N3/c1-2-18-9-14(8-16-18)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,2-7H2,1H3
InChIKeySRKXARBMIGEHQT-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
CID 17022471
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N,1-diethylpyrazol-4-amine
CID 43543394
N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine
CID 43776995
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100569266
N-(1-ethylpyrazol-4-yl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 136561367
1-ethyl-N-(4-ethylcycloheptyl)pyrazol-4-amine
CID 65083881
1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine
CID 43543494
N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
CID 65089861
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(2-adamantyl)-1-ethylpyrazol-4-amine (CID 43621713) is N-(2-adamantyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(2-adamantyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(2-adamantyl)-1-ethylpyrazol-4-amine is CCn1cc(NC2C3CC4CC(C3)CC2C4)cn1.
What is the InChIKey of N-(2-adamantyl)-1-ethylpyrazol-4-amine?
The InChIKey is SRKXARBMIGEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-18-9-14(8-16-18)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,2-7H2,1H3.
What are the key properties of N-(2-adamantyl)-1-ethylpyrazol-4-amine?
N-(2-adamantyl)-1-ethylpyrazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43621713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).