4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole

C14H17ClN2O — CID 114054833

IUPAC4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
SMILESCCCn1cc(Oc2ccc(C)cc2CCl)cn1
InChIInChI=1S/C14H17ClN2O/c1-3-6-17-10-13(9-16-17)18-14-5-4-11(2)7-12(14)8-15/h4-5,7,9-10H,3,6,8H2,1-2H3
InChIKeyHFURPWRLHMTTMW-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.13
Rot. Bonds5

About 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole

4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole (PubChem CID 114054833) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole.

Molecular Properties

Compound Name4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
PubChem CID114054833
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
SMILESCCCn1cc(Oc2ccc(C)cc2CCl)cn1
InChIInChI=1S/C14H17ClN2O/c1-3-6-17-10-13(9-16-17)18-14-5-4-11(2)7-12(14)8-15/h4-5,7,9-10H,3,6,8H2,1-2H3
InChIKeyHFURPWRLHMTTMW-UHFFFAOYSA-N
XLogP4.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852
[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
CID 114846259
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107926547
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857848
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802284
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole?
The IUPAC name of 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole (CID 114054833) is 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole.
What is the SMILES notation for 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole?
The canonical SMILES for 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole is CCCn1cc(Oc2ccc(C)cc2CCl)cn1.
What is the InChIKey of 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole?
The InChIKey is HFURPWRLHMTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-6-17-10-13(9-16-17)18-14-5-4-11(2)7-12(14)8-15/h4-5,7,9-10H,3,6,8H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole?
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole has a molecular weight of 264.76 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole is sourced from PubChem (CID 114054833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).