N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine

C14H25N3O — CID 50950871

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine
SMILESCCn1cc(CN(CC2CCOC2)C(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-4-17-10-14(7-15-17)9-16(12(2)3)8-13-5-6-18-11-13/h7,10,12-13H,4-6,8-9,11H2,1-3H3
InChIKeyZYQDELUBUIZOKL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.15
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine

N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine (PubChem CID 50950871) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine
PubChem CID50950871
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine
SMILESCCn1cc(CN(CC2CCOC2)C(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-4-17-10-14(7-15-17)9-16(12(2)3)8-13-5-6-18-11-13/h7,10,12-13H,4-6,8-9,11H2,1-3H3
InChIKeyZYQDELUBUIZOKL-UHFFFAOYSA-N
XLogP2.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine (CID 50950871) is N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine is CCn1cc(CN(CC2CCOC2)C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine?
The InChIKey is ZYQDELUBUIZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17-10-14(7-15-17)9-16(12(2)3)8-13-5-6-18-11-13/h7,10,12-13H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 50950871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).