N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine

C9H15N3O — CID 80683078

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
SMILESCn1cc(CCNC2COC2)cn1
InChIInChI=1S/C9H15N3O/c1-12-5-8(4-11-12)2-3-10-9-6-13-7-9/h4-5,9-10H,2-3,6-7H2,1H3
InChIKeyNYWIOYKEYRBMCS-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.05
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine (PubChem CID 80683078) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
PubChem CID80683078
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
SMILESCn1cc(CCNC2COC2)cn1
InChIInChI=1S/C9H15N3O/c1-12-5-8(4-11-12)2-3-10-9-6-13-7-9/h4-5,9-10H,2-3,6-7H2,1H3
InChIKeyNYWIOYKEYRBMCS-UHFFFAOYSA-N
XLogP-0.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine (CID 80683078) is N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine is Cn1cc(CCNC2COC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine?
The InChIKey is NYWIOYKEYRBMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-5-8(4-11-12)2-3-10-9-6-13-7-9/h4-5,9-10H,2-3,6-7H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine is sourced from PubChem (CID 80683078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).