4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole

C13H15ClN2O — CID 116805404

IUPAC4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H15ClN2O/c1-10(2)16-8-13(7-15-16)17-9-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyMWSHDBSXZNMMIT-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.70
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole

4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole (PubChem CID 116805404) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
PubChem CID116805404
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H15ClN2O/c1-10(2)16-8-13(7-15-16)17-9-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyMWSHDBSXZNMMIT-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
CID 114608538
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
CID 116805241
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
3-fluoro-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]benzonitrile
CID 116805277
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole
CID 116805369
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole (CID 116805404) is 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole is CC(C)n1cc(OCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole?
The InChIKey is MWSHDBSXZNMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10(2)16-8-13(7-15-16)17-9-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole?
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole has a molecular weight of 250.73 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole is sourced from PubChem (CID 116805404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).