5-(1-adamantyl)-1H-pyrazol-3-amine

C13H19N3 — CID 11127715

IUPAC5-(1-adamantyl)-1H-pyrazol-3-amine
SMILESNc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16)
InChIKeyQQDOAENFCVMKSC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.46
Rot. Bonds1

About 5-(1-adamantyl)-1H-pyrazol-3-amine

5-(1-adamantyl)-1H-pyrazol-3-amine (PubChem CID 11127715) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-(1-adamantyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-adamantyl)-1H-pyrazol-3-amine
PubChem CID11127715
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-(1-adamantyl)-1H-pyrazol-3-amine
SMILESNc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16)
InChIKeyQQDOAENFCVMKSC-UHFFFAOYSA-N
XLogP2.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-adamantyl)-1H-pyrazole
CID 503298
5-Cyclohexyl-1H-pyrazol-3-amine
CID 12831625
5-cyclopentyl-1H-pyrazol-3-amine
CID 22176827
3-(3-methylbutyl)-1H-pyrazol-5-amine
CID 33787852
3-(cyclohexylmethyl)-1H-pyrazol-5-amine
CID 43115677
3-(heptan-3-yl)-1H-pyrazol-5-amine
CID 43125592
5-cycloheptyl-1H-pyrazol-3-amine
CID 54594329
3-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-5-amine
CID 66475759
3-(1-adamantyl)-5-methyl-1H-pyrazole
CID 22496845
3-(4,4-Difluorocyclohexyl)-1H-pyrazol-5-amine
CID 81931860
5-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-3-amine
CID 81931886
3-(pentan-2-yl)-1H-pyrazol-5-amine
CID 43115676

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-adamantyl)-1H-pyrazol-3-amine (CID 11127715) is 5-(1-adamantyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-adamantyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-adamantyl)-1H-pyrazol-3-amine is Nc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of 5-(1-adamantyl)-1H-pyrazol-3-amine?
The InChIKey is QQDOAENFCVMKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16).
What are the key properties of 5-(1-adamantyl)-1H-pyrazol-3-amine?
5-(1-adamantyl)-1H-pyrazol-3-amine has a molecular weight of 217.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 11127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).