4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine

C10H15N3O — CID 164643649

IUPAC4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1CC2CCC1O2
InChIInChI=1S/C10H15N3O/c1-5-9(12-13-10(5)11)7-4-6-2-3-8(7)14-6/h6-8H,2-4H2,1H3,(H3,11,12,13)
InChIKeyVFMIKDATGPEBQT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds1

About 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine

4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine (PubChem CID 164643649) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
PubChem CID164643649
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1CC2CCC1O2
InChIInChI=1S/C10H15N3O/c1-5-9(12-13-10(5)11)7-4-6-2-3-8(7)14-6/h6-8H,2-4H2,1H3,(H3,11,12,13)
InChIKeyVFMIKDATGPEBQT-UHFFFAOYSA-N
XLogP1.34
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate
CID 116647743
3-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-1,2,4-triazole-5-thione
CID 80720761
2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine
CID 166863614
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide
CID 80715751
1-(2,3-dimethylphenyl)-3-methyl-5-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-triazole
CID 155497960
(1S,2S,4R)-2-phenyl-7-oxabicyclo[2.2.1]heptane
CID 100962533
3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540138
4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 15187834
5-bromo-6-cyclopropyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidine-4-thione
CID 106480262
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine (CID 164643649) is 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1C1CC2CCC1O2.
What is the InChIKey of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is VFMIKDATGPEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-9(12-13-10(5)11)7-4-6-2-3-8(7)14-6/h6-8H,2-4H2,1H3,(H3,11,12,13).
What are the key properties of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 164643649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).