4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole

C10H11N5O — CID 121212608

IUPAC4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole
SMILESCCc1[nH]nc(-c2ccoc2)c1CN=[N+]=[N-]
InChIInChI=1S/C10H11N5O/c1-2-9-8(5-12-15-11)10(14-13-9)7-3-4-16-6-7/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyUBQNXVWGTDDYNL-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.04
Rot. Bonds4

About 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole

4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole (PubChem CID 121212608) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole
PubChem CID121212608
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole
SMILESCCc1[nH]nc(-c2ccoc2)c1CN=[N+]=[N-]
InChIInChI=1S/C10H11N5O/c1-2-9-8(5-12-15-11)10(14-13-9)7-3-4-16-6-7/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyUBQNXVWGTDDYNL-UHFFFAOYSA-N
XLogP3.04
TPSA90.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212601
1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 121212654
2-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)ethanamine
CID 121212244
4-(bromomethyl)-5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole
CID 121211432
3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212239
5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106476851
5-ethyl-N-(furan-3-ylmethyl)-4-methyl-1H-pyrazol-3-amine
CID 115735786
5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212603
3-(furan-3-yl)-5-propan-2-yl-1H-1,2,4-triazole
CID 61351300
6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571
5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
CID 121212676

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole?
The IUPAC name of 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole (CID 121212608) is 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole.
What is the SMILES notation for 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole?
The canonical SMILES for 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole is CCc1[nH]nc(-c2ccoc2)c1CN=[N+]=[N-].
What is the InChIKey of 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole?
The InChIKey is UBQNXVWGTDDYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-9-8(5-12-15-11)10(14-13-9)7-3-4-16-6-7/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole?
4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole has a molecular weight of 217.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole is sourced from PubChem (CID 121212608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).