5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C8H9ClF3N5 — CID 59833746

IUPAC5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c(Cl)c1CN=[N+]=[N-]
InChIInChI=1S/C8H9ClF3N5/c1-4(2)17-5(3-14-16-13)6(9)7(15-17)8(10,11)12/h4H,3H2,1-2H3
InChIKeyIBYLCHQKHZNTHN-UHFFFAOYSA-N
MW267.64 g/mol
LogP3.95
Rot. Bonds3

About 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole

5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 59833746) has the molecular formula C8H9ClF3N5 and a molecular weight of 267.64 g/mol. Its IUPAC name is 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID59833746
Molecular FormulaC8H9ClF3N5
Molecular Weight267.64 g/mol
Exact Mass267.05
IUPAC Name5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c(Cl)c1CN=[N+]=[N-]
InChIInChI=1S/C8H9ClF3N5/c1-4(2)17-5(3-14-16-13)6(9)7(15-17)8(10,11)12/h4H,3H2,1-2H3
InChIKeyIBYLCHQKHZNTHN-UHFFFAOYSA-N
XLogP3.95
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 53.95
H-Bond Donors ≤ 50
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'}

Analyze 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021
4-Chloro-1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole
CID 14770656
4-Chloro-1,3-dimethyl-5-(trifluoromethyl)pyrazole
CID 20616026
5-Tert-butyl-4-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157460
[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
3-(azidomethyl)-4-chloro-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 59826474

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 59833746) is 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1nc(C(F)(F)F)c(Cl)c1CN=[N+]=[N-].
What is the InChIKey of 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is IBYLCHQKHZNTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N5/c1-4(2)17-5(3-14-16-13)6(9)7(15-17)8(10,11)12/h4H,3H2,1-2H3.
What are the key properties of 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 267.64 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59833746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).