3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol

C12H21N3O2 — CID 103848292

IUPAC3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCCCn1cc(CNCC2(O)CCOC2)cn1
InChIInChI=1S/C12H21N3O2/c1-2-4-15-8-11(7-14-15)6-13-9-12(16)3-5-17-10-12/h7-8,13,16H,2-6,9-10H2,1H3
InChIKeyICZXHOKILWWCHL-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds6

About 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol

3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848292) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
PubChem CID103848292
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCCCn1cc(CNCC2(O)CCOC2)cn1
InChIInChI=1S/C12H21N3O2/c1-2-4-15-8-11(7-14-15)6-13-9-12(16)3-5-17-10-12/h7-8,13,16H,2-6,9-10H2,1H3
InChIKeyICZXHOKILWWCHL-UHFFFAOYSA-N
XLogP0.53
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 103741109
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848451
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
1-(1-ethylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957579
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol (CID 103848292) is 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol is CCCn1cc(CNCC2(O)CCOC2)cn1.
What is the InChIKey of 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is ICZXHOKILWWCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-4-15-8-11(7-14-15)6-13-9-12(16)3-5-17-10-12/h7-8,13,16H,2-6,9-10H2,1H3.
What are the key properties of 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol?
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 239.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).