azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol

C6H6F3N5O — CID 167136124

IUPACazido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESCn1nc(C(O)N=[N+]=[N-])cc1C(F)(F)F
InChIInChI=1S/C6H6F3N5O/c1-14-4(6(7,8)9)2-3(12-14)5(15)11-13-10/h2,5,15H,1H3
InChIKeyMMEKIUXNCNMIPK-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.74
Rot. Bonds2

About azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol

azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (PubChem CID 167136124) has the molecular formula C6H6F3N5O and a molecular weight of 221.14 g/mol. Its IUPAC name is azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Nameazido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
PubChem CID167136124
Molecular FormulaC6H6F3N5O
Molecular Weight221.14 g/mol
Exact Mass221.05
IUPAC Nameazido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESCn1nc(C(O)N=[N+]=[N-])cc1C(F)(F)F
InChIInChI=1S/C6H6F3N5O/c1-14-4(6(7,8)9)2-3(12-14)5(15)11-13-10/h2,5,15H,1H3
InChIKeyMMEKIUXNCNMIPK-UHFFFAOYSA-N
XLogP1.74
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
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

(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 2776363
(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
CID 2776366
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896703
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63962847
1-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanol
CID 75175983
5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carbonitrile
CID 131545365
1-Methyl-3,5-bis(hydroxymethyl)-pyrazole
CID 84648737
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896820
2,2,2-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)ethan-1-ol
CID 58297055
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 58456726
1-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 70851924

Frequently Asked Questions

What is the IUPAC name of azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The IUPAC name of azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (CID 167136124) is azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The canonical SMILES for azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is Cn1nc(C(O)N=[N+]=[N-])cc1C(F)(F)F.
What is the InChIKey of azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The InChIKey is MMEKIUXNCNMIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N5O/c1-14-4(6(7,8)9)2-3(12-14)5(15)11-13-10/h2,5,15H,1H3.
What are the key properties of azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol has a molecular weight of 221.14 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 167136124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).