1-phenylmethoxy-4-thiophen-2-ylpyrazole

C14H12N2OS — CID 10658740

IUPAC1-phenylmethoxy-4-thiophen-2-ylpyrazole
SMILESc1ccc(COn2cc(-c3cccs3)cn2)cc1
InChIInChI=1S/C14H12N2OS/c1-2-5-12(6-3-1)11-17-16-10-13(9-15-16)14-7-4-8-18-14/h1-10H,11H2
InChIKeyLAULWBDXMJKURB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.24
Rot. Bonds4

About 1-phenylmethoxy-4-thiophen-2-ylpyrazole

1-phenylmethoxy-4-thiophen-2-ylpyrazole (PubChem CID 10658740) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-phenylmethoxy-4-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-phenylmethoxy-4-thiophen-2-ylpyrazole
PubChem CID10658740
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-phenylmethoxy-4-thiophen-2-ylpyrazole
SMILESc1ccc(COn2cc(-c3cccs3)cn2)cc1
InChIInChI=1S/C14H12N2OS/c1-2-5-12(6-3-1)11-17-16-10-13(9-15-16)14-7-4-8-18-14/h1-10H,11H2
InChIKeyLAULWBDXMJKURB-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[4-(1-phenyl-2-thiophen-2-ylbut-1-enyl)pyrazol-1-yl]oxypropan-1-amine
CID 49823303
1-Phenylmethoxy-5-thiophen-2-ylpyrazole
CID 11086368
1-Phenylmethoxy-5-thiophen-2-yltriazole
CID 11747260
N,N-dimethyl-3-[4-[(Z)-1-phenyl-2-thiophen-2-ylbut-1-enyl]pyrazol-1-yl]oxypropan-1-amine
CID 135053915
N,N-dimethyl-3-[4-[(Z)-1-phenyl-1-thiophen-2-ylbut-1-en-2-yl]pyrazol-1-yl]oxypropan-1-amine
CID 135054398
5-Methylsulfanyl-1-phenylmethoxypyrazole
CID 10036414
N-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]-1-thiophen-2-ylmethanimine
CID 10970412
N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 82709056

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-thiophen-2-ylpyrazole?
The IUPAC name of 1-phenylmethoxy-4-thiophen-2-ylpyrazole (CID 10658740) is 1-phenylmethoxy-4-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-phenylmethoxy-4-thiophen-2-ylpyrazole?
The canonical SMILES for 1-phenylmethoxy-4-thiophen-2-ylpyrazole is c1ccc(COn2cc(-c3cccs3)cn2)cc1.
What is the InChIKey of 1-phenylmethoxy-4-thiophen-2-ylpyrazole?
The InChIKey is LAULWBDXMJKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-5-12(6-3-1)11-17-16-10-13(9-15-16)14-7-4-8-18-14/h1-10H,11H2.
What are the key properties of 1-phenylmethoxy-4-thiophen-2-ylpyrazole?
1-phenylmethoxy-4-thiophen-2-ylpyrazole has a molecular weight of 256.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-thiophen-2-ylpyrazole is sourced from PubChem (CID 10658740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).