4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine

C10H17N3O — CID 130663973

IUPAC4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
SMILESCC1(C)COCC1NCc1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-10(2)7-14-6-9(10)11-5-8-3-4-12-13-8/h3-4,9,11H,5-7H2,1-2H3,(H,12,13)
InChIKeyULZCMYUZHJBNFF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.92
Rot. Bonds3

About 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine

4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine (PubChem CID 130663973) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
PubChem CID130663973
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
SMILESCC1(C)COCC1NCc1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-10(2)7-14-6-9(10)11-5-8-3-4-12-13-8/h3-4,9,11H,5-7H2,1-2H3,(H,12,13)
InChIKeyULZCMYUZHJBNFF-UHFFFAOYSA-N
XLogP0.92
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
The IUPAC name of 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine (CID 130663973) is 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
The canonical SMILES for 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine is CC1(C)COCC1NCc1ccn[nH]1.
What is the InChIKey of 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
The InChIKey is ULZCMYUZHJBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2)7-14-6-9(10)11-5-8-3-4-12-13-8/h3-4,9,11H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 130663973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).