5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile

C12H11N3O — CID 5325292

IUPAC5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile
SMILESCOc1c(C#N)c(-c2ccccc2)nn1C
InChIInChI=1S/C12H11N3O/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyAUKBXEXXRXJYMW-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.97
Rot. Bonds2

About 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile

5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile (PubChem CID 5325292) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile
PubChem CID5325292
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile
SMILESCOc1c(C#N)c(-c2ccccc2)nn1C
InChIInChI=1S/C12H11N3O/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyAUKBXEXXRXJYMW-UHFFFAOYSA-N
XLogP1.97
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-5-phenoxypyrazole-4-carbonitrile
CID 682833
6-amino-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 77845606
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
2-[[1-(2-Cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2389775
6-Amino-1-benzyl-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2872320
6-Amino-1,3-dimethyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitril
CID 89649444
6-Amino-4-(4-methoxyphenyl)-1,3-dimethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 89649702
6-amino-1-methyl-3-phenyl-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 118648121
6-amino-1,3-dimethyl-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 118648128
6-amino-4-(4-cyanophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 118648132
6-amino-4-(3,5-difluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 130227074
6-amino-4-(4-cyanophenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 130227114

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile (CID 5325292) is 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile is COc1c(C#N)c(-c2ccccc2)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile?
The InChIKey is AUKBXEXXRXJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile?
5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5325292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).