4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol

C14H23ClN2O2 — CID 114635824

IUPAC4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2c(Cl)cnn2C(C)C)CCO1
InChIInChI=1S/C14H23ClN2O2/c1-4-5-11-8-14(18,6-7-19-11)13-12(15)9-16-17(13)10(2)3/h9-11,18H,4-8H2,1-3H3
InChIKeyBMUIZPNUUMHENJ-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.28
Rot. Bonds4

About 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol

4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol (PubChem CID 114635824) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
PubChem CID114635824
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2c(Cl)cnn2C(C)C)CCO1
InChIInChI=1S/C14H23ClN2O2/c1-4-5-11-8-14(18,6-7-19-11)13-12(15)9-16-17(13)10(2)3/h9-11,18H,4-8H2,1-3H3
InChIKeyBMUIZPNUUMHENJ-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol?
The IUPAC name of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol (CID 114635824) is 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol is CCCC1CC(O)(c2c(Cl)cnn2C(C)C)CCO1.
What is the InChIKey of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol?
The InChIKey is BMUIZPNUUMHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-4-5-11-8-14(18,6-7-19-11)13-12(15)9-16-17(13)10(2)3/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol?
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol has a molecular weight of 286.80 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol is sourced from PubChem (CID 114635824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).