(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol

C12H10Cl2N2O3 — CID 114634492

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C12H10Cl2N2O3/c1-16-10(8(14)4-15-16)11(17)6-2-7(13)12-9(3-6)18-5-19-12/h2-4,11,17H,5H2,1H3
InChIKeyPCRROJUCANCFAL-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.54
Rot. Bonds2

About (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol

(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol (PubChem CID 114634492) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol
PubChem CID114634492
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C12H10Cl2N2O3/c1-16-10(8(14)4-15-16)11(17)6-2-7(13)12-9(3-6)18-5-19-12/h2-4,11,17H,5H2,1H3
InChIKeyPCRROJUCANCFAL-UHFFFAOYSA-N
XLogP2.54
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634496
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 114634286
(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol
CID 63894459
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
1-(7-chloro-1,3-benzodioxol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63895802
1-(7-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 63895238
(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82771409
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743283
1-(7-chloro-1,3-benzodioxol-5-yl)-3-methylsulfonylpropan-1-ol
CID 65151134
2-(7-chloro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetic acid
CID 43803331
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol (CID 114634492) is (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol is Cn1ncc(Cl)c1C(O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The InChIKey is PCRROJUCANCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-16-10(8(14)4-15-16)11(17)6-2-7(13)12-9(3-6)18-5-19-12/h2-4,11,17H,5H2,1H3.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol has a molecular weight of 301.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).