N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine

C14H21N3 — CID 43662241

IUPACN-(1H-pyrazol-5-ylmethyl)adamantan-1-amine
SMILESc1cc(CNC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H21N3/c1-2-16-17-13(1)9-15-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,10-12,15H,3-9H2,(H,16,17)
InChIKeyHGYIRCAGWPWQOK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.47
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine

N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine (PubChem CID 43662241) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)adamantan-1-amine
PubChem CID43662241
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(1H-pyrazol-5-ylmethyl)adamantan-1-amine
SMILESc1cc(CNC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H21N3/c1-2-16-17-13(1)9-15-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,10-12,15H,3-9H2,(H,16,17)
InChIKeyHGYIRCAGWPWQOK-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine (CID 43662241) is N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine is c1cc(CNC23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine?
The InChIKey is HGYIRCAGWPWQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-16-17-13(1)9-15-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,10-12,15H,3-9H2,(H,16,17).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine?
N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine is sourced from PubChem (CID 43662241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).