[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol

C9H15ClN2O2 — CID 62318267

IUPAC[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol
SMILESCOCc1nn(C(C)C)c(Cl)c1CO
InChIInChI=1S/C9H15ClN2O2/c1-6(2)12-9(10)7(4-13)8(11-12)5-14-3/h6,13H,4-5H2,1-3H3
InChIKeyKSWPBLTUSHHYNK-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.76
Rot. Bonds4

About [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol

[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 62318267) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol
PubChem CID62318267
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol
SMILESCOCc1nn(C(C)C)c(Cl)c1CO
InChIInChI=1S/C9H15ClN2O2/c1-6(2)12-9(10)7(4-13)8(11-12)5-14-3/h6,13H,4-5H2,1-3H3
InChIKeyKSWPBLTUSHHYNK-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol (CID 62318267) is [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol is COCc1nn(C(C)C)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is KSWPBLTUSHHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-6(2)12-9(10)7(4-13)8(11-12)5-14-3/h6,13H,4-5H2,1-3H3.
What are the key properties of [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol?
[5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 218.68 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(methoxymethyl)-1-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 62318267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).