5-(1-adamantylmethyl)-1H-pyrazole

C14H20N2 — CID 15490442

IUPAC5-(1-adamantylmethyl)-1H-pyrazole
SMILESc1cc(CC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H20N2/c1-2-15-16-13(1)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,10-12H,3-9H2,(H,15,16)
InChIKeyANWGHFMLEIKLMA-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.17
Rot. Bonds2

About 5-(1-adamantylmethyl)-1H-pyrazole

5-(1-adamantylmethyl)-1H-pyrazole (PubChem CID 15490442) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-(1-adamantylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-adamantylmethyl)-1H-pyrazole
PubChem CID15490442
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-(1-adamantylmethyl)-1H-pyrazole
SMILESc1cc(CC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H20N2/c1-2-15-16-13(1)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,10-12H,3-9H2,(H,15,16)
InChIKeyANWGHFMLEIKLMA-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantylmethyl)-1H-pyrazole?
The IUPAC name of 5-(1-adamantylmethyl)-1H-pyrazole (CID 15490442) is 5-(1-adamantylmethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1-adamantylmethyl)-1H-pyrazole?
The canonical SMILES for 5-(1-adamantylmethyl)-1H-pyrazole is c1cc(CC23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of 5-(1-adamantylmethyl)-1H-pyrazole?
The InChIKey is ANWGHFMLEIKLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-15-16-13(1)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,10-12H,3-9H2,(H,15,16).
What are the key properties of 5-(1-adamantylmethyl)-1H-pyrazole?
5-(1-adamantylmethyl)-1H-pyrazole has a molecular weight of 216.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantylmethyl)-1H-pyrazole is sourced from PubChem (CID 15490442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).