N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine

C15H23N3 — CID 43621714

IUPACN-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H23N3/c1-8-14(9(2)18-17-8)16-15-12-4-10-3-11(6-12)7-13(15)5-10/h10-13,15-16H,3-7H2,1-2H3,(H,17,18)
InChIKeyJMLQYZUWCSYYTH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds2

About N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43621714) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43621714
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H23N3/c1-8-14(9(2)18-17-8)16-15-12-4-10-3-11(6-12)7-13(15)5-10/h10-13,15-16H,3-7H2,1-2H3,(H,17,18)
InChIKeyJMLQYZUWCSYYTH-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[3.1.0]hexanyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 130525381
N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 64761189
N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride
CID 56773738
N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43635589
3,5-dimethyl-N-(2-methylthian-3-yl)-1H-pyrazol-4-amine
CID 79957725
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine
CID 65070307
3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
CID 65044159
N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 79956145
N-(2,4,6-trichlorophenyl)adamantan-2-amine
CID 43621697
3,5-dimethyl-N-propyl-1H-pyrazol-4-amine
CID 43547244
3,5-dimethyl-N-(2-piperidin-2-ylcyclohexyl)-1H-pyrazol-4-amine
CID 79553657

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 43621714) is N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is JMLQYZUWCSYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-8-14(9(2)18-17-8)16-15-12-4-10-3-11(6-12)7-13(15)5-10/h10-13,15-16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43621714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).