1-phenylmethoxypyrazole-4-carbonitrile

C11H9N3O — CID 10703150

IUPAC1-phenylmethoxypyrazole-4-carbonitrile
SMILESN#Cc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C11H9N3O/c12-6-11-7-13-14(8-11)15-9-10-4-2-1-3-5-10/h1-5,7-8H,9H2
InChIKeyQPFXVVPZCGQVMO-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.38
Rot. Bonds3

About 1-phenylmethoxypyrazole-4-carbonitrile

1-phenylmethoxypyrazole-4-carbonitrile (PubChem CID 10703150) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-phenylmethoxypyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-phenylmethoxypyrazole-4-carbonitrile
PubChem CID10703150
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name1-phenylmethoxypyrazole-4-carbonitrile
SMILESN#Cc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C11H9N3O/c12-6-11-7-13-14(8-11)15-9-10-4-2-1-3-5-10/h1-5,7-8H,9H2
InChIKeyQPFXVVPZCGQVMO-UHFFFAOYSA-N
XLogP1.38
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-phenylmethoxypyrazole
CID 91619331
4-ethyl-1-phenylmethoxypyrazole
CID 119082094
benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate
CID 154929111
4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide
CID 118709043
3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile
CID 175957912
N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine
CID 11825063
2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
CID 91623201
6-phenylmethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175982897
N-[2-[bis(4-phenylmethoxyphenyl)methyl-methylamino]ethyl]-4-cyano-N-methylpyrazole-1-carboxamide
CID 155520173
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrazole-4-carbonitrile?
The IUPAC name of 1-phenylmethoxypyrazole-4-carbonitrile (CID 10703150) is 1-phenylmethoxypyrazole-4-carbonitrile.
What is the SMILES notation for 1-phenylmethoxypyrazole-4-carbonitrile?
The canonical SMILES for 1-phenylmethoxypyrazole-4-carbonitrile is N#Cc1cnn(OCc2ccccc2)c1.
What is the InChIKey of 1-phenylmethoxypyrazole-4-carbonitrile?
The InChIKey is QPFXVVPZCGQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-6-11-7-13-14(8-11)15-9-10-4-2-1-3-5-10/h1-5,7-8H,9H2.
What are the key properties of 1-phenylmethoxypyrazole-4-carbonitrile?
1-phenylmethoxypyrazole-4-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrazole-4-carbonitrile is sourced from PubChem (CID 10703150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).