1-(3-phenoxypropyl)pyrazole

C12H14N2O — CID 55028379

IUPAC1-(3-phenoxypropyl)pyrazole
SMILESc1ccc(OCCCn2cccn2)cc1
InChIInChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-11-5-10-14-9-4-8-13-14/h1-4,6-9H,5,10-11H2
InChIKeyYNBPSXDJONFXKC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.35
Rot. Bonds5

About 1-(3-phenoxypropyl)pyrazole

1-(3-phenoxypropyl)pyrazole (PubChem CID 55028379) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)pyrazole.

Molecular Properties

Compound Name1-(3-phenoxypropyl)pyrazole
PubChem CID55028379
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(3-phenoxypropyl)pyrazole
SMILESc1ccc(OCCCn2cccn2)cc1
InChIInChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-11-5-10-14-9-4-8-13-14/h1-4,6-9H,5,10-11H2
InChIKeyYNBPSXDJONFXKC-UHFFFAOYSA-N
XLogP2.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
1-[3-(2-chloro-4-phenoxyphenoxy)propyl]pyrazole
CID 19759768
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
2-[1-(3-phenoxypropyl)imidazol-2-yl]sulfanylacetic acid
CID 62380046
3-(phenoxymethyl)-1-[[4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]piperidin-3-ol
CID 132772135
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole
CID 141063821
1-[3-(4-benzyl-2-chlorophenoxy)propyl]pyrazole
CID 19759769
2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 47069511

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)pyrazole?
The IUPAC name of 1-(3-phenoxypropyl)pyrazole (CID 55028379) is 1-(3-phenoxypropyl)pyrazole.
What is the SMILES notation for 1-(3-phenoxypropyl)pyrazole?
The canonical SMILES for 1-(3-phenoxypropyl)pyrazole is c1ccc(OCCCn2cccn2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)pyrazole?
The InChIKey is YNBPSXDJONFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-11-5-10-14-9-4-8-13-14/h1-4,6-9H,5,10-11H2.
What are the key properties of 1-(3-phenoxypropyl)pyrazole?
1-(3-phenoxypropyl)pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)pyrazole is sourced from PubChem (CID 55028379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).