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

C10H12ClF2N5O — CID 166560187

IUPAC[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
SMILESCc1nn(C)nc1C(O)c1cn(CC(F)F)nc1Cl
InChIInChI=1S/C10H12ClF2N5O/c1-5-8(15-17(2)14-5)9(19)6-3-18(4-7(12)13)16-10(6)11/h3,7,9,19H,4H2,1-2H3
InChIKeyFPHPHDMMALKSKX-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.32
Rot. Bonds4

About [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol

[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol (PubChem CID 166560187) has the molecular formula C10H12ClF2N5O and a molecular weight of 291.69 g/mol. Its IUPAC name is [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
PubChem CID166560187
Molecular FormulaC10H12ClF2N5O
Molecular Weight291.69 g/mol
Exact Mass291.07
IUPAC Name[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
SMILESCc1nn(C)nc1C(O)c1cn(CC(F)F)nc1Cl
InChIInChI=1S/C10H12ClF2N5O/c1-5-8(15-17(2)14-5)9(19)6-3-18(4-7(12)13)16-10(6)11/h3,7,9,19H,4H2,1-2H3
InChIKeyFPHPHDMMALKSKX-UHFFFAOYSA-N
XLogP1.32
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
4-[[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
CID 166559980
[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166560110
[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166560240
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
CID 167278955
(1,3-Dimethylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
CID 169671135
[4-[(1-Ethylpyrazol-4-yl)-hydroxymethyl]-5-methyltriazol-2-yl] thiohypofluorite
CID 170791998
[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166559841
[3-Chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166559954
[3-Chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-(4-iodo-1-methylpyrazol-3-yl)methanol
CID 166559982
(5-Bromo-1-ethylpyrazol-4-yl)-(2,5-dimethyltriazol-4-yl)methanol
CID 167278832

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The IUPAC name of [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol (CID 166560187) is [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol.
What is the SMILES notation for [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The canonical SMILES for [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol is Cc1nn(C)nc1C(O)c1cn(CC(F)F)nc1Cl.
What is the InChIKey of [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
The InChIKey is FPHPHDMMALKSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N5O/c1-5-8(15-17(2)14-5)9(19)6-3-18(4-7(12)13)16-10(6)11/h3,7,9,19H,4H2,1-2H3.
What are the key properties of [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol?
[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol has a molecular weight of 291.69 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol is sourced from PubChem (CID 166560187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).