[1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol

C10H13F2N5O — CID 167278955

IUPAC[1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
SMILESCc1nn(C)nc1C(O)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H13F2N5O/c1-6-9(15-16(2)14-6)10(18)7-3-13-17(4-7)5-8(11)12/h3-4,8,10,18H,5H2,1-2H3
InChIKeyBIARPTIHWIAYGP-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.67
Rot. Bonds4

About [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol

[1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol (PubChem CID 167278955) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
PubChem CID167278955
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC Name[1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
SMILESCc1nn(C)nc1C(O)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H13F2N5O/c1-6-9(15-16(2)14-6)10(18)7-3-13-17(4-7)5-8(11)12/h3-4,8,10,18H,5H2,1-2H3
InChIKeyBIARPTIHWIAYGP-UHFFFAOYSA-N
XLogP0.67
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(Bromomethyl)-1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 87637809
(3-Bromo-1-methylpyrazol-4-yl)-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methanol
CID 164718899
[4-Bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719439
[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 164719440
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166559780
[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166560110
[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
CID 166560187
[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166560240
(1,3-Dimethylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
CID 169671135
(3-Bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
CID 178128961
1-(1,5-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 79584950
1-(1,3-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 83091280

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The IUPAC name of [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol (CID 167278955) is [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol is Cc1nn(C)nc1C(O)c1cnn(CC(F)F)c1.
What is the InChIKey of [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The InChIKey is BIARPTIHWIAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c1-6-9(15-16(2)14-6)10(18)7-3-13-17(4-7)5-8(11)12/h3-4,8,10,18H,5H2,1-2H3.
What are the key properties of [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
[1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol has a molecular weight of 257.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol is sourced from PubChem (CID 167278955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).