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

C14H21N3 — CID 79986453

IUPAC5-(1-adamantylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H21N3/c15-13-4-12(16-17-13)8-14-5-9-1-10(6-14)3-11(2-9)7-14/h4,9-11H,1-3,5-8H2,(H3,15,16,17)
InChIKeyMEIOBGHLGWNMCF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.75
Rot. Bonds2

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

5-(1-adamantylmethyl)-1H-pyrazol-3-amine (PubChem CID 79986453) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(1-adamantylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-adamantylmethyl)-1H-pyrazol-3-amine
PubChem CID79986453
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-(1-adamantylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H21N3/c15-13-4-12(16-17-13)8-14-5-9-1-10(6-14)3-11(2-9)7-14/h4,9-11H,1-3,5-8H2,(H3,15,16,17)
InChIKeyMEIOBGHLGWNMCF-UHFFFAOYSA-N
XLogP2.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(adamantan-1-yl)-1H-pyrazol-3-amine
CID 11127715
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
5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
CID 33787841
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-Adamantylmethyl)pyrazole
CID 15490442
3-(1-adamantyl)-5-methyl-1H-pyrazole
CID 22496845
3-(4,4-Difluorocyclohexyl)-1H-pyrazol-5-amine
CID 81931860

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-adamantylmethyl)-1H-pyrazol-3-amine (CID 79986453) is 5-(1-adamantylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-adamantylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-adamantylmethyl)-1H-pyrazol-3-amine is Nc1cc(CC23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of 5-(1-adamantylmethyl)-1H-pyrazol-3-amine?
The InChIKey is MEIOBGHLGWNMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-13-4-12(16-17-13)8-14-5-9-1-10(6-14)3-11(2-9)7-14/h4,9-11H,1-3,5-8H2,(H3,15,16,17).
What are the key properties of 5-(1-adamantylmethyl)-1H-pyrazol-3-amine?
5-(1-adamantylmethyl)-1H-pyrazol-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79986453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).