2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C18H29N3O — CID 75417243

IUPAC2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29N3O/c1-11-17(12(2)21(20-11)3-4-22)10-19-18-15-6-13-5-14(8-15)9-16(18)7-13/h13-16,18-19,22H,3-10H2,1-2H3
InChIKeyYFDAWOSNIFPJEP-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 75417243) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID75417243
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29N3O/c1-11-17(12(2)21(20-11)3-4-22)10-19-18-15-6-13-5-14(8-15)9-16(18)7-13/h13-16,18-19,22H,3-10H2,1-2H3
InChIKeyYFDAWOSNIFPJEP-UHFFFAOYSA-N
XLogP2.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 75417243) is 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is YFDAWOSNIFPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-11-17(12(2)21(20-11)3-4-22)10-19-18-15-6-13-5-14(8-15)9-16(18)7-13/h13-16,18-19,22H,3-10H2,1-2H3.
What are the key properties of 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 303.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-adamantylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 75417243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).