3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole

C9H13N5O — CID 168728198

IUPAC3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole
SMILES[N-]=[N+]=NCc1ccn(CC2CCCO2)n1
InChIInChI=1S/C9H13N5O/c10-13-11-6-8-3-4-14(12-8)7-9-2-1-5-15-9/h3-4,9H,1-2,5-7H2
InChIKeyOYDIJMTZLXVCSC-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.87
Rot. Bonds4

About 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole

3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole (PubChem CID 168728198) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole
PubChem CID168728198
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole
SMILES[N-]=[N+]=NCc1ccn(CC2CCCO2)n1
InChIInChI=1S/C9H13N5O/c10-13-11-6-8-3-4-14(12-8)7-9-2-1-5-15-9/h3-4,9H,1-2,5-7H2
InChIKeyOYDIJMTZLXVCSC-UHFFFAOYSA-N
XLogP1.87
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83818730
N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65165245
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
3-[4-amino-6-[3-azido-3-[1-(oxolan-2-ylmethyl)pyrazol-3-yl]prop-1-ynyl]-5-fluoropyrimidin-2-yl]-2-methylbenzonitrile
CID 170175430
4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 125168426
5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29107228
2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82401859
1-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanone
CID 155480196
7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine
CID 67469568

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole?
The IUPAC name of 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole (CID 168728198) is 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole.
What is the SMILES notation for 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole?
The canonical SMILES for 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole is [N-]=[N+]=NCc1ccn(CC2CCCO2)n1.
What is the InChIKey of 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole?
The InChIKey is OYDIJMTZLXVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-13-11-6-8-3-4-14(12-8)7-9-2-1-5-15-9/h3-4,9H,1-2,5-7H2.
What are the key properties of 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole?
3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole has a molecular weight of 207.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole is sourced from PubChem (CID 168728198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).