4-phenylmethoxy-1-propan-2-ylpyrazole

C13H16N2O — CID 91900757

IUPAC4-phenylmethoxy-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCc2ccccc2)cn1
InChIInChI=1S/C13H16N2O/c1-11(2)15-9-13(8-14-15)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyWRMNHIRXASKBBK-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.04
Rot. Bonds4

About 4-phenylmethoxy-1-propan-2-ylpyrazole

4-phenylmethoxy-1-propan-2-ylpyrazole (PubChem CID 91900757) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-phenylmethoxy-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-phenylmethoxy-1-propan-2-ylpyrazole
PubChem CID91900757
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-phenylmethoxy-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCc2ccccc2)cn1
InChIInChI=1S/C13H16N2O/c1-11(2)15-9-13(8-14-15)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyWRMNHIRXASKBBK-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
CID 114608538
1-methyl-4-phenylmethoxypyrazole
CID 84661432
3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol
CID 114608533
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
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
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
CID 116805480

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-propan-2-ylpyrazole?
The IUPAC name of 4-phenylmethoxy-1-propan-2-ylpyrazole (CID 91900757) is 4-phenylmethoxy-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-phenylmethoxy-1-propan-2-ylpyrazole?
The canonical SMILES for 4-phenylmethoxy-1-propan-2-ylpyrazole is CC(C)n1cc(OCc2ccccc2)cn1.
What is the InChIKey of 4-phenylmethoxy-1-propan-2-ylpyrazole?
The InChIKey is WRMNHIRXASKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(2)15-9-13(8-14-15)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-phenylmethoxy-1-propan-2-ylpyrazole?
4-phenylmethoxy-1-propan-2-ylpyrazole has a molecular weight of 216.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-propan-2-ylpyrazole is sourced from PubChem (CID 91900757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).