4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole

C15H22N2 — CID 3144359

IUPAC4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2/c1-9-14(10(2)17-16-9)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,3-8H2,1-2H3,(H,16,17)
InChIKeySFFIZXMQASIFMI-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.49
Rot. Bonds1

About 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole

4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 3144359) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole
PubChem CID3144359
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2/c1-9-14(10(2)17-16-9)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,3-8H2,1-2H3,(H,16,17)
InChIKeySFFIZXMQASIFMI-UHFFFAOYSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole (CID 3144359) is 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is SFFIZXMQASIFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-9-14(10(2)17-16-9)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole?
4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 230.35 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 3144359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).