3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde

C13H13ClN2O2 — CID 114067265

IUPAC3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde
SMILESCCCn1cc(Oc2c(Cl)cccc2C=O)cn1
InChIInChI=1S/C13H13ClN2O2/c1-2-6-16-8-11(7-15-16)18-13-10(9-17)4-3-5-12(13)14/h3-5,7-9H,2,6H2,1H3
InChIKeyLXJSTJQQWMOKSA-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.55
Rot. Bonds5

About 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde

3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde (PubChem CID 114067265) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde
PubChem CID114067265
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde
SMILESCCCn1cc(Oc2c(Cl)cccc2C=O)cn1
InChIInChI=1S/C13H13ClN2O2/c1-2-6-16-8-11(7-15-16)18-13-10(9-17)4-3-5-12(13)14/h3-5,7-9H,2,6H2,1H3
InChIKeyLXJSTJQQWMOKSA-UHFFFAOYSA-N
XLogP3.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612
3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
CID 114067235
methyl 3-amino-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 116802581
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
4-propoxy-1-propylpyrazole
CID 116805185
methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 107198187
2-chloro-6-(4-propoxypyrazol-1-yl)benzaldehyde
CID 114274082
[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
CID 106777567
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde?
The IUPAC name of 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde (CID 114067265) is 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde.
What is the SMILES notation for 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde?
The canonical SMILES for 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde is CCCn1cc(Oc2c(Cl)cccc2C=O)cn1.
What is the InChIKey of 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde?
The InChIKey is LXJSTJQQWMOKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-6-16-8-11(7-15-16)18-13-10(9-17)4-3-5-12(13)14/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde?
3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde has a molecular weight of 264.71 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde is sourced from PubChem (CID 114067265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).